methyl 6-(2,3-dihydroindol-1-ylcarbothioylamino)hexanoate

Systemtic Name: methyl 6-(2,3-dihydroindol-1-ylcarbothioylamino)hexanoate Openeye Name: methyl 6-(indoline-1-carbothioylamino)hexanoate CAS Name: 6-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(2,3-dihydroindole-1-carbothioylamino)hexanoate Traditional Name: 6-(indoline-1-carbothioylamino)hexanoic acid methyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCC2=CC=CC=C21

InChI

InChI=1S/C16H22N2O2S/c1-20-15(19)9-3-2-6-11-17-16(21)18-12-10-13-7-4-5-8-14(13)18/h4-5,7-8H,2-3,6,9-12H2,1H3,(H,17,21)