N-(2-methoxy-5-methyl-phenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-isobutylphenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(4-isobutylphenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S2/c1-17(2)15-19-6-8-20(9-7-19)31(27,28)26-13-11-25(12-14-26)23(30)24-21-16-18(3)5-10-22(21)29-4/h5-10,16-17H,11-15H2,1-4H3,(H,24,30)