ethyl 2-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-nitrophenyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24N4O4S2 MolecularWeight: 496.60176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O4S2/c1-2-32-23(29)20-16-21(17-6-4-3-5-7-17)34-22(20)25-24(33)27-14-12-26(13-15-27)18-8-10-19(11-9-18)28(30)31/h3-11,16H,2,12-15H2,1H3,(H,25,33)