N-(3-methylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-isobutylphenyl)sulfonyl-N-(m-tolyl)piperazine-1-carbothioamide CAS Name: N-(3-methylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-methylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(4-isobutylphenyl)sulfonyl-N-(m-tolyl)piperazine-1-carbothioamide Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C22H29N3O2S2/c1-17(2)15-19-7-9-21(10-8-19)29(26,27)25-13-11-24(12-14-25)22(28)23-20-6-4-5-18(3)16-20/h4-10,16-17H,11-15H2,1-3H3,(H,23,28)