N-(4-butylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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