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

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]-2-pyrrolyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]pyrrol-2-yl]-N-(3-pyridylmethyl)propionamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)SC)CCC(=O)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)SC)CCC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-32-24-11-5-21(6-12-24)26-15-9-23(30(26)22-7-13-25(33-2)14-8-22)10-16-27(31)29-19-20-4-3-17-28-18-20/h3-9,11-15,17-18H,10,16,19H2,1-2H3,(H,29,31)