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

Systemtic Name: N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-(2-methoxyethyl)-N-[(1-methyl-2-pyrrolyl)methyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-prop-2-enylamino]acetamide IUPAC Name: N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CCOC)C(=O)CN(CC=C)C(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CN1C=CC=C1CN(CCOC)C(=O)CN(CC=C)C(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C22H30N4O3S/c1-5-12-26(22(28)23-18-8-10-20(30-4)11-9-18)17-21(27)25(14-15-29-3)16-19-7-6-13-24(19)2/h5-11,13H,1,12,14-17H2,2-4H3,(H,23,28)