methyl 4-[(3-nitrophenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-nitrophenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(3-nitrophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-nitrophenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c1-22-14(19)10-5-7-11(8-6-10)16-15(23)17-12-3-2-4-13(9-12)18(20)21/h2-9H,1H3,(H2,16,17,23)