N-(2,3-dimethylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S2/c1-17(2)16-20-8-10-21(11-9-20)30(27,28)26-14-12-25(13-15-26)23(29)24-22-7-5-6-18(3)19(22)4/h5-11,17H,12-16H2,1-4H3,(H,24,29)