2-[butyl(2-phenylsulfanylethanoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: 2-[butyl(2-phenylsulfanylethanoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: 2-[butyl-(2-phenylsulfanylacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[butyl-[1-oxo-2-(phenylthio)ethyl]amino]-N-cyclopropyl-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: 2-[butyl-(2-phenylsulfanylacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[butyl-[2-(phenylthio)acetyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CN1C)C2CC2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CN1C)C2CC2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O2S/c1-3-4-15-25(23(28)18-29-21-10-6-5-7-11-21)17-22(27)26(19-12-13-19)16-20-9-8-14-24(20)2/h5-11,14,19H,3-4,12-13,15-18H2,1-2H3