4-[(2-chlorophenyl)methyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(2-chlorophenyl)methyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]piperazine-1-carbothioamide Openeye Name: 4-[(2-chlorophenyl)methyl]-N-[4-(o-tolylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[(2-chlorophenyl)methyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(2-chlorophenyl)methyl]-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzyl)-N-[4-(o-tolylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C25H27ClN4O2S2 MolecularWeight: 515.09048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H27ClN4O2S2/c1-19-6-2-5-9-24(19)28-34(31,32)22-12-10-21(11-13-22)27-25(33)30-16-14-29(15-17-30)18-20-7-3-4-8-23(20)26/h2-13,28H,14-18H2,1H3,(H,27,33)