N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H22ClN3O2S2 MolecularWeight: 423.97988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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