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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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