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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC=C)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC=C)C(=O)CSC2=CC=CC=C2

InChI

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