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

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanamide CAS Name: 3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]-2-pyrrolyl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanamide Traditional Name: N-benzyl-3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]pyrrol-2-yl]propionamide Formula: C28H28N2O2S MolecularWeight: 456.59912

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O2S/c1-32-25-14-8-22(9-15-25)27-18-12-24(30(27)23-10-16-26(33-2)17-11-23)13-19-28(31)29-20-21-6-4-3-5-7-21/h3-12,14-18H,13,19-20H2,1-2H3,(H,29,31)