butyl 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-3-4-11-27-18(23)13-5-7-14(8-6-13)20-19(28)21-16-10-9-15(22(24)25)12-17(16)26-2/h5-10,12H,3-4,11H2,1-2H3,(H2,20,21,28)