[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 2-(N-cyano-N'-phenyl-carbamimidoyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 2-[(N-cyano-N'-phenyl-amidino)thio]-N-(2,6-dimethylphenyl)acetamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC(=NC2=CC=CC=C2)NC#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC(=NC2=CC=CC=C2)NC#N

InChI

InChI=1S/C18H18N4OS/c1-13-7-6-8-14(2)17(13)22-16(23)11-24-18(20-12-19)21-15-9-4-3-5-10-15/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)