4-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]piperazine-1-carbothioamide Formula: C22H29ClN4O2S2 MolecularWeight: 481.07426

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H29ClN4O2S2/c1-4-27(5-2)31(28,29)20-10-9-17(3)21(16-20)24-22(30)26-13-11-25(12-14-26)19-8-6-7-18(23)15-19/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,24,30)