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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN3O2S2/c1-30-23(29)20-15-21(18-5-3-2-4-6-18)32-22(20)26-24(31)28-13-11-27(12-14-28)16-17-7-9-19(25)10-8-17/h2-10,15H,11-14,16H2,1H3,(H,26,31)