3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-N-[(3-methylpyridin-2-yl)methyl]propanamide

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-N-[(3-methylpyridin-2-yl)methyl]propanamide Openeye Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-N-[(3-methyl-2-pyridyl)methyl]propanamide CAS Name: 3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]-2-pyrrolyl]-N-[(3-methyl-2-pyridinyl)methyl]propanamide IUPAC Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-N-[(3-methylpyridin-2-yl)methyl]propanamide Traditional Name: 3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]pyrrol-2-yl]-N-[(3-methyl-2-pyridyl)methyl]propionamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CNC(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N=CC=C1)CNC(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H29N3O2S/c1-20-5-4-18-29-26(20)19-30-28(32)17-11-23-10-16-27(21-6-12-24(33-2)13-7-21)31(23)22-8-14-25(34-3)15-9-22/h4-10,12-16,18H,11,17,19H2,1-3H3,(H,30,32)