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

Systemtic Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[2-phenylsulfanylethanoyl(prop-2-enyl)amino]ethanamide Openeye Name: 2-[allyl-(2-phenylsulfanylacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-cyclopropyl-N-[(1-methyl-2-pyrrolyl)methyl]-2-[[1-oxo-2-(phenylthio)ethyl]-prop-2-enylamino]acetamide IUPAC Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(2-phenylsulfanylacetyl)-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[2-(phenylthio)acetyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(C2CC2)C(=O)CN(CC=C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1CN(C2CC2)C(=O)CN(CC=C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-3-13-24(22(27)17-28-20-9-5-4-6-10-20)16-21(26)25(18-11-12-18)15-19-8-7-14-23(19)2/h3-10,14,18H,1,11-13,15-17H2,2H3