3-[1-(4-methoxyphenyl)carbonylpiperidin-3-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide

Systemtic Name: 3-[1-(4-methoxyphenyl)carbonylpiperidin-3-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide Openeye Name: 3-[1-(4-methoxybenzoyl)-3-piperidyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide CAS Name: 3-[1-[(4-methoxyphenyl)-oxomethyl]-3-piperidinyl]-N-[[4-(methylthio)phenyl]methyl]benzamide IUPAC Name: 3-[1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide Traditional Name: N-[4-(methylthio)benzyl]-3-(1-p-anisoyl-3-piperidyl)benzamide Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C28H30N2O3S/c1-33-25-12-10-21(11-13-25)28(32)30-16-4-7-24(19-30)22-5-3-6-23(17-22)27(31)29-18-20-8-14-26(34-2)15-9-20/h3,5-6,8-15,17,24H,4,7,16,18-19H2,1-2H3,(H,29,31)