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

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]-2-pyrrolyl]propanamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]propanamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]pyrrol-2-yl]propionamide Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1CCCC1CNC(=O)CCC2=CC=C(N2C3=CC=C(C=C3)SC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H35N3O2S/c1-4-30-19-5-6-24(30)20-29-28(32)18-12-23-11-17-27(21-7-13-25(33-2)14-8-21)31(23)22-9-15-26(34-3)16-10-22/h7-11,13-17,24H,4-6,12,18-20H2,1-3H3,(H,29,32)