N-(4-chlorophenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-(2,5-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-chlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H22ClN3O2S2 MolecularWeight: 423.97988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O2S2/c1-14-3-4-15(2)18(13-14)27(24,25)23-11-9-22(10-12-23)19(26)21-17-7-5-16(20)6-8-17/h3-8,13H,9-12H2,1-2H3,(H,21,26)