N-(1,3-benzodioxol-5-yl)-4-(4-butan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-butan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O4S2/c1-3-16(2)17-4-7-19(8-5-17)31(26,27)25-12-10-24(11-13-25)22(30)23-18-6-9-20-21(14-18)29-15-28-20/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,23,30)