methyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]butanoate Openeye Name: methyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]butanoate CAS Name: 4-[[[2-(1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]butanoate Traditional Name: 4-[2-(1H-indol-3-yl)ethylthiocarbamoylamino]butyric acid methyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCCC1=CNC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCNC(=S)NCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C16H21N3O2S/c1-21-15(20)7-4-9-17-16(22)18-10-8-12-11-19-14-6-3-2-5-13(12)14/h2-3,5-6,11,19H,4,7-10H2,1H3,(H2,17,18,22)