N-(2,5-dimethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S2/c1-17(2)15-18-5-8-20(9-6-18)32(27,28)26-13-11-25(12-14-26)23(31)24-21-16-19(29-3)7-10-22(21)30-4/h5-10,16-17H,11-15H2,1-4H3,(H,24,31)