ethyl 4-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-(2-nitrophenyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(2-nitrophenyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-2-29-21(26)16-9-13-18(14-10-16)24-22(30)23-17-11-7-15(8-12-17)19-5-3-4-6-20(19)25(27)28/h3-14H,2H2,1H3,(H2,23,24,30)