N-(cyanomethyl)-3-phenyl-2-(phenylcarbamothioylamino)propanamide

Systemtic Name: N-(cyanomethyl)-3-phenyl-2-(phenylcarbamothioylamino)propanamide Openeye Name: N-(cyanomethyl)-3-phenyl-2-(phenylcarbamothioylamino)propanamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-N-(cyanomethyl)-3-phenylpropanamide IUPAC Name: N-(cyanomethyl)-3-phenyl-2-(phenylcarbamothioylamino)propanamide Traditional Name: N-(cyanomethyl)-3-phenyl-2-(phenylthiocarbamoylamino)propionamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC#N)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC#N)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C18H18N4OS/c19-11-12-20-17(23)16(13-14-7-3-1-4-8-14)22-18(24)21-15-9-5-2-6-10-15/h1-10,16H,12-13H2,(H,20,23)(H2,21,22,24)