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

Systemtic Name: butyl 4-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(3-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-nitrobenzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-2-3-11-27-18(24)13-7-9-15(10-8-13)20-19(28)21-17(23)14-5-4-6-16(12-14)22(25)26/h4-10,12H,2-3,11H2,1H3,(H2,20,21,23,28)