4-(2,5-dimethylphenyl)sulfonyl-N-(3-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(m-tolyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(m-tolyl)piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-15-5-4-6-18(13-15)21-20(26)22-9-11-23(12-10-22)27(24,25)19-14-16(2)7-8-17(19)3/h4-8,13-14H,9-12H2,1-3H3,(H,21,26)