N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-isobutylphenyl)sulfonyl-N-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(4-isobutylphenyl)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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S2/c1-18(2)16-20-8-10-22(11-9-20)30(27,28)26-14-12-25(13-15-26)23(29)24-17-21-6-4-19(3)5-7-21/h4-11,18H,12-17H2,1-3H3,(H,24,29)