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

Systemtic Name: S-methyl (NE)-N-[[(4-nitrophenyl)carbonylamino]-phenylazanyl-methylidene]carbamothioate Openeye Name: S-methyl (NE)-N-[anilino-[(4-nitrobenzoyl)amino]methylene]carbamothioate CAS Name: (NE)-N-[anilino-[[(4-nitrophenyl)-oxomethyl]amino]methylidene]carbamothioic acid S-methyl ester IUPAC Name: S-methyl (NE)-N-[anilino-[(4-nitrobenzoyl)amino]methylidene]carbamothioate Traditional Name: (NE)-N-[anilino-[(4-nitrobenzoyl)amino]methylene]thiocarbamic acid S-methyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)N=C(NC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC(=O)/N=C(\NC1=CC=CC=C1)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-25-16(22)19-15(17-12-5-3-2-4-6-12)18-14(21)11-7-9-13(10-8-11)20(23)24/h2-10H,1H3,(H2,17,18,19,21,22)