4-(4-butan-2-ylphenyl)sulfonyl-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C22H28ClN3O2S2 MolecularWeight: 466.05962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O2S2/c1-3-17(2)19-6-10-21(11-7-19)30(27,28)26-14-12-25(13-15-26)22(29)24-16-18-4-8-20(23)9-5-18/h4-11,17H,3,12-16H2,1-2H3,(H,24,29)