methyl N-cyano-N'-(1-oxidanylidene-1-phenyl-propan-2-yl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(1-oxidanylidene-1-phenyl-propan-2-yl)carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-(1-methyl-2-oxo-2-phenyl-ethyl)isothiourea CAS Name: N-cyano-N'-(1-oxo-1-phenylpropan-2-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(1-oxo-1-phenylpropan-2-yl)carbamimidothioate Traditional Name: 1-cyano-3-(2-keto-1-methyl-2-phenyl-ethyl)-2-methyl-isothiourea Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)N=C(NC#N)SC

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)N=C(NC#N)SC

InChI

InChI=1S/C12H13N3OS/c1-9(15-12(17-2)14-8-13)11(16)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,14,15)