4-(5-chloranyl-2-methyl-phenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C20H25ClN4O2S2 MolecularWeight: 453.0211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H25ClN4O2S2/c1-15-4-5-16(21)14-19(15)24-10-12-25(13-11-24)20(28)22-17-6-8-18(9-7-17)29(26,27)23(2)3/h4-9,14H,10-13H2,1-3H3,(H,22,28)