methyl 2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-nitrophenyl)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-nitrophenyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H19N3O4S2 MolecularWeight: 489.56606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O4S2/c1-32-24(29)20-15-22(17-7-3-2-4-8-17)34-23(20)27-25(33)26-18-13-11-16(12-14-18)19-9-5-6-10-21(19)28(30)31/h2-15H,1H3,(H2,26,27,33)