[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbamothioylamino)benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbamothioylamino)benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-(phenylcarbamothioylamino)benzoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]benzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-(phenylcarbamothioylamino)benzoate Traditional Name: 4-(phenylthiocarbamoylamino)benzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c27-20(23-18-7-4-8-19(13-18)26(29)30)14-31-21(28)15-9-11-17(12-10-15)25-22(32)24-16-5-2-1-3-6-16/h1-13H,14H2,(H,23,27)(H2,24,25,32)