N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(phenylcarbamothioylamino)propanamide

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(phenylcarbamothioylamino)propanamide Openeye Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(phenylcarbamothioylamino)propanamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-N-(cyanomethyl)-3-(1H-indol-3-yl)propanamide IUPAC Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(phenylcarbamothioylamino)propanamide Traditional Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(phenylthiocarbamoylamino)propionamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

InChI

InChI=1S/C20H19N5OS/c21-10-11-22-19(26)18(25-20(27)24-15-6-2-1-3-7-15)12-14-13-23-17-9-5-4-8-16(14)17/h1-9,13,18,23H,11-12H2,(H,22,26)(H2,24,25,27)