4-(4-tert-butylphenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-tert-butylphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylphenyl)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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S2/c1-17-6-11-21(29-5)20(16-17)24-22(30)25-12-14-26(15-13-25)31(27,28)19-9-7-18(8-10-19)23(2,3)4/h6-11,16H,12-15H2,1-5H3,(H,24,30)