2-methyl-N-[(4-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 2-methyl-N-[(4-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 2-methyl-1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonyl-6-oxo-N-(p-tolylmethyl)piperazine-2-carboxamide CAS Name: 2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-1-[[4-(methylthio)phenyl]methyl]-6-oxo-2-piperazinecarboxamide IUPAC Name: 2-methyl-N-[(4-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 6-keto-4-mesyl-2-methyl-N-(4-methylbenzyl)-1-[4-(methylthio)benzyl]piperazine-2-carboxamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2(CN(CC(=O)N2CC3=CC=C(C=C3)SC)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2(CN(CC(=O)N2CC3=CC=C(C=C3)SC)S(=O)(=O)C)C

InChI

InChI=1S/C23H29N3O4S2/c1-17-5-7-18(8-6-17)13-24-22(28)23(2)16-25(32(4,29)30)15-21(27)26(23)14-19-9-11-20(31-3)12-10-19/h5-12H,13-16H2,1-4H3,(H,24,28)