CHEBI:117258 - N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
ChEBI ID CHEBI:117258
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H20N2OS2
Net Charge 0
Average Mass 320.476
Monoisotopic Mass 320.10171
InChI InChI=1S/C16H20N2OS2/c1-4-18(5-2)16(20)21-10-14(19)15-11(3)17-13-9-7-6-8-12(13)15/h6-9,17H,4-5,10H2,1-3H3
InChIKey DEKNGTYNYQKWRH-UHFFFAOYSA-N
SMILES CCN(CC)C(=S)SCC(=O)C1=C(NC2=CC=CC=C21)C
ChEBI Ontology
Outgoing N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester (CHEBI:117258) is a indoles (CHEBI:24828)
Manual Xref Database
LSM-28707 LINCS
View more database links