methyl 6-[(indol-3-ylidenemethylamino)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(indol-3-ylidenemethylamino)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(indol-3-ylidenemethylamino)carbamothioylamino]hexanoate CAS Name: 6-[[(3-indolylidenemethylhydrazo)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(indol-3-ylidenemethylamino)carbamothioylamino]hexanoate Traditional Name: 6-[(indol-3-ylidenemethylamino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC=C1C=NC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC=C1C=NC2=CC=CC=C21

InChI

InChI=1S/C17H22N4O2S/c1-23-16(22)9-3-2-6-10-18-17(24)21-20-12-13-11-19-15-8-5-4-7-14(13)15/h4-5,7-8,11-12,20H,2-3,6,9-10H2,1H3,(H2,18,21,24)