butyl 4-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S/c1-3-4-11-29-19(25)13-5-8-15(9-6-13)21-20(30)22-18(24)14-7-10-17(28-2)16(12-14)23(26)27/h5-10,12H,3-4,11H2,1-2H3,(H2,21,22,24,30)