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

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(3,4-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(3,4-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(3,4-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O4S2/c1-5-17(2)18-6-9-20(10-7-18)32(27,28)26-14-12-25(13-15-26)23(31)24-19-8-11-21(29-3)22(16-19)30-4/h6-11,16-17H,5,12-15H2,1-4H3,(H,24,31)