[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] N-cyano-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] N-cyano-N'-prop-2-enyl-carbamimidothioate Openeye Name: 2-(N'-allyl-N-cyano-carbamimidoyl)sulfanyl-N-benzyl-acetamide CAS Name: N-cyano-N'-prop-2-enylcarbamimidothioic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] N-cyano-N'-prop-2-enylcarbamimidothioate Traditional Name: 2-[(N'-allyl-N-cyano-amidino)thio]-N-benzyl-acetamide Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(NC#N)SCC(=O)NCC1=CC=CC=C1

Isomeric SMILES

C=CCN=C(NC#N)SCC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C14H16N4OS/c1-2-8-16-14(18-11-15)20-10-13(19)17-9-12-6-4-3-5-7-12/h2-7H,1,8-10H2,(H,16,18)(H,17,19)