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

Systemtic Name: 2-[2-methylpropyl(2-phenylsulfanylethanoyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[isobutyl-(2-phenylsulfanylacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[2-methylpropyl-[1-oxo-2-(phenylthio)ethyl]amino]-N-[(1-methyl-2-pyrrolyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: N-benzyl-2-[isobutyl-[2-(phenylthio)acetyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2S/c1-22(2)17-29(27(32)21-33-25-14-8-5-9-15-25)20-26(31)30(18-23-11-6-4-7-12-23)19-24-13-10-16-28(24)3/h4-16,22H,17-21H2,1-3H3