N-(4-butan-2-ylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(p-tolylsulfonyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-sec-butylphenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S2/c1-4-18(3)19-7-9-20(10-8-19)23-22(28)24-13-15-25(16-14-24)29(26,27)21-11-5-17(2)6-12-21/h5-12,18H,4,13-16H2,1-3H3,(H,23,28)