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

Systemtic Name: ethyl 2-[[4-(4-chlorophenyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(4-chlorophenyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-chlorophenyl)piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-chlorophenyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24ClN3O2S2 MolecularWeight: 486.04926

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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)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN3O2S2/c1-2-30-23(29)20-16-21(17-6-4-3-5-7-17)32-22(20)26-24(31)28-14-12-27(13-15-28)19-10-8-18(25)9-11-19/h3-11,16H,2,12-15H2,1H3,(H,26,31)