4-(4-butylphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-butylphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butylphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-butylphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H31N3O2S2/c1-4-5-6-20-9-11-21(12-10-20)30(27,28)26-15-13-25(14-16-26)23(29)24-22-17-18(2)7-8-19(22)3/h7-12,17H,4-6,13-16H2,1-3H3,(H,24,29)