N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)-2-[2-phenylsulfanylethanoyl(prop-2-enyl)amino]ethanamide

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)-2-[2-phenylsulfanylethanoyl(prop-2-enyl)amino]ethanamide Openeye Name: 2-[allyl-(2-phenylsulfanylacetyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-2-[[1-oxo-2-(phenylthio)ethyl]-prop-2-enylamino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(2-phenylsulfanylacetyl)-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[2-(phenylthio)acetyl]amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O2S/c1-3-16-28(26(31)21-32-24-14-8-5-9-15-24)20-25(30)29(18-22-11-6-4-7-12-22)19-23-13-10-17-27(23)2/h3-15,17H,1,16,18-21H2,2H3