ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(1H-indol-3-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H21N3O2S/c1-2-25-19(24)14-7-9-16(10-8-14)23-20(26)21-12-11-15-13-22-18-6-4-3-5-17(15)18/h3-10,13,22H,2,11-12H2,1H3,(H2,21,23,26)