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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC)C4=CC=CC=C4

InChI

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