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

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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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=CC(=C3C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C23H31N3O2S2/c1-5-17(2)20-9-11-21(12-10-20)30(27,28)26-15-13-25(14-16-26)23(29)24-22-8-6-7-18(3)19(22)4/h6-12,17H,5,13-16H2,1-4H3,(H,24,29)