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

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)piperazine-1-carbothioamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S2/c1-15-5-7-18(16(2)13-15)22-21(29)23-9-11-24(12-10-23)30(25,26)17-6-8-19(27-3)20(14-17)28-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,29)