methyl 3-[(4-chloranyl-2-nitro-phenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-chloranyl-2-nitro-phenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-chloro-2-nitro-phenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-2-nitrophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-chloro-2-nitro-phenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H12ClN3O5S MolecularWeight: 393.80158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O5S/c1-25-15(22)10-4-2-3-9(7-10)14(21)19-16(26)18-12-6-5-11(17)8-13(12)20(23)24/h2-8H,1H3,(H2,18,19,21,26)