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

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)-2-[2-phenylsulfanylethanoyl(propan-2-yl)amino]ethanamide Openeye Name: N-benzyl-2-[isopropyl-(2-phenylsulfanylacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-2-[[1-oxo-2-(phenylthio)ethyl]-propan-2-ylamino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(2-phenylsulfanylacetyl)-propan-2-ylamino]acetamide Traditional Name: N-benzyl-2-[isopropyl-[2-(phenylthio)acetyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O2S/c1-21(2)29(26(31)20-32-24-14-8-5-9-15-24)19-25(30)28(17-22-11-6-4-7-12-22)18-23-13-10-16-27(23)3/h4-16,21H,17-20H2,1-3H3