propan-2-yl 4-[(4-nitrophenyl)carbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[(4-nitrophenyl)carbamothioylamino]benzoate Openeye Name: isopropyl 4-[(4-nitrophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-nitrophenyl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-11(2)24-16(21)12-3-5-13(6-4-12)18-17(25)19-14-7-9-15(10-8-14)20(22)23/h3-11H,1-2H3,(H2,18,19,25)