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

Systemtic Name: ethyl 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(3,4-dichlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25Cl2N3O2S2 MolecularWeight: 534.5209

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H25Cl2N3O2S2/c1-3-32-24(31)22-21(17-7-5-4-6-8-17)16(2)34-23(22)28-25(33)30-13-11-29(12-14-30)18-9-10-19(26)20(27)15-18/h4-10,15H,3,11-14H2,1-2H3,(H,28,33)