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

Systemtic Name: butyl 4-[(3-nitrophenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(3-nitrophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-nitrophenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-2-3-11-25-17(22)13-7-9-14(10-8-13)19-18(26)20-15-5-4-6-16(12-15)21(23)24/h4-10,12H,2-3,11H2,1H3,(H2,19,20,26)