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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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