N-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-(4-isopropylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-p-cumenylsulfonyl-piperazine-1-carbothioamide Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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