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

Systemtic Name: N-(2,4-dimethylphenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,4-dimethylphenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,4-dimethylphenyl)-4-(2,5-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,4-dimethylphenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-15-6-8-19(18(4)13-15)22-21(27)23-9-11-24(12-10-23)28(25,26)20-14-16(2)5-7-17(20)3/h5-8,13-14H,9-12H2,1-4H3,(H,22,27)