2-cyano-3-[(phenylmethyl)carbamothioylamino]prop-2-enamide

Systemtic Name: 2-cyano-3-[(phenylmethyl)carbamothioylamino]prop-2-enamide Openeye Name: 3-(benzylcarbamothioylamino)-2-cyano-prop-2-enamide CAS Name: 2-cyano-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-2-propenamide IUPAC Name: 3-(benzylcarbamothioylamino)-2-cyanoprop-2-enamide Traditional Name: 3-(benzylthiocarbamoylamino)-2-cyano-acrylamide Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC=C(C#N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC=C(C#N)C(=O)N

InChI

InChI=1S/C12H12N4OS/c13-6-10(11(14)17)8-16-12(18)15-7-9-4-2-1-3-5-9/h1-5,8H,7H2,(H2,14,17)(H2,15,16,18)