N-(4-butan-2-ylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(4-butan-2-ylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-butan-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-3-17(2)18-9-11-19(12-10-18)22-21(27)23-13-15-24(16-14-23)28(25,26)20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3,(H,22,27)