3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-(phenylcarbamothioylamino)propanamide

Systemtic Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-(phenylcarbamothioylamino)propanamide Openeye Name: 3-(benzothiophen-3-yl)-N-(cyanomethyl)-2-(phenylcarbamothioylamino)propanamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-(1-benzothiophen-3-yl)-N-(cyanomethyl)propanamide IUPAC Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-(phenylcarbamothioylamino)propanamide Traditional Name: 3-(benzothiophen-3-yl)-N-(cyanomethyl)-2-(phenylthiocarbamoylamino)propionamide Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC(CC2=CSC3=CC=CC=C32)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC(CC2=CSC3=CC=CC=C32)C(=O)NCC#N

InChI

InChI=1S/C20H18N4OS2/c21-10-11-22-19(25)17(24-20(26)23-15-6-2-1-3-7-15)12-14-13-27-18-9-5-4-8-16(14)18/h1-9,13,17H,11-12H2,(H,22,25)(H2,23,24,26)