4-(4-butan-2-ylphenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C)OC

InChI

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