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

Systemtic Name: methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate CAS Name: 2-[[[2-(1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 2-[2-(1H-indol-3-yl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H19N3O2S/c1-24-18(23)15-7-3-5-9-17(15)22-19(25)20-11-10-13-12-21-16-8-4-2-6-14(13)16/h2-9,12,21H,10-11H2,1H3,(H2,20,22,25)