S-methyl (NE)-N-[[(4-methylphenyl)carbonylamino]-phenylazanyl-methylidene]carbamothioate

Systemtic Name: S-methyl (NE)-N-[[(4-methylphenyl)carbonylamino]-phenylazanyl-methylidene]carbamothioate Openeye Name: S-methyl (NE)-N-[anilino-[(4-methylbenzoyl)amino]methylene]carbamothioate CAS Name: (NE)-N-[anilino-[[(4-methylphenyl)-oxomethyl]amino]methylidene]carbamothioic acid S-methyl ester IUPAC Name: S-methyl (NE)-N-[anilino-[(4-methylbenzoyl)amino]methylidene]carbamothioate Traditional Name: (NE)-N-[anilino-(p-toluoylamino)methylene]thiocarbamic acid S-methyl ester Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=NC(=O)SC)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=N/C(=O)SC)/NC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O2S/c1-12-8-10-13(11-9-12)15(21)19-16(20-17(22)23-2)18-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,18,19,20,21,22)