4-(4-tert-butylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-tert-butylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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