4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonyl-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonyl-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]-N-[4-(methylthio)phenyl]piperazine-1-carboxamide Formula: C31H31ClN4O3S MolecularWeight: 575.12084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=CC=C2Cl)C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)SC

Isomeric SMILES

CC1=C(C=C(N1C2=CC=CC=C2Cl)C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)SC

InChI

InChI=1S/C31H31ClN4O3S/c1-21-26(20-29(22-8-12-24(39-2)13-9-22)36(21)28-7-5-4-6-27(28)32)30(37)34-16-18-35(19-17-34)31(38)33-23-10-14-25(40-3)15-11-23/h4-15,20H,16-19H2,1-3H3,(H,33,38)