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

Systemtic Name: ethyl 4-[(3-nitrophenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-nitrophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-nitrophenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c1-2-23-15(20)11-6-8-12(9-7-11)17-16(24)18-13-4-3-5-14(10-13)19(21)22/h3-10H,2H2,1H3,(H2,17,18,24)