N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]ethanamide

Systemtic Name: N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-(2-methylpropyl)-N-[(1-methyl-2-pyrrolyl)methyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-prop-2-enylamino]acetamide IUPAC Name: N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC=C)C(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC=C)C(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C23H32N4O2S/c1-6-13-26(23(29)24-19-9-11-21(30-5)12-10-19)17-22(28)27(15-18(2)3)16-20-8-7-14-25(20)4/h6-12,14,18H,1,13,15-17H2,2-5H3,(H,24,29)