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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C22H28ClN3O2S2 MolecularWeight: 466.05962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H28ClN3O2S2/c1-17(2)15-18-5-9-21(10-6-18)30(27,28)26-13-11-25(12-14-26)22(29)24-16-19-3-7-20(23)8-4-19/h3-10,17H,11-16H2,1-2H3,(H,24,29)