4-(4-tert-butylphenyl)sulfonyl-N-(3-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-N-(3-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-(m-tolyl)piperazine-1-carbothioamide CAS Name: 4-(4-tert-butylphenyl)sulfonyl-N-(3-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-N-(3-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylphenyl)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)C(C)(C)C

Isomeric SMILES

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

InChI

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