2-[[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]-methylamino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CN(C)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CN(C)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C21H29N3O2S/c1-14(2)24-15(3)11-17(16(24)4)19(25)12-23(5)13-21(26)22-18-9-7-8-10-20(18)27-6/h7-11,14H,12-13H2,1-6H3,(H,22,26)