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

Systemtic Name: N-(cyanomethyl)-2-(ethylcarbamothioylamino)-3-(1H-indol-3-yl)propanamide Openeye Name: N-(cyanomethyl)-2-(ethylcarbamothioylamino)-3-(1H-indol-3-yl)propanamide CAS Name: N-(cyanomethyl)-2-[[ethylamino(sulfanylidene)methyl]amino]-3-(1H-indol-3-yl)propanamide IUPAC Name: N-(cyanomethyl)-2-(ethylcarbamothioylamino)-3-(1H-indol-3-yl)propanamide Traditional Name: N-(cyanomethyl)-2-(ethylthiocarbamoylamino)-3-(1H-indol-3-yl)propionamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

Isomeric SMILES

CCNC(=S)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

InChI

InChI=1S/C16H19N5OS/c1-2-18-16(23)21-14(15(22)19-8-7-17)9-11-10-20-13-6-4-3-5-12(11)13/h3-6,10,14,20H,2,8-9H2,1H3,(H,19,22)(H2,18,21,23)