2,2-dimethyl-N-[4-methyl-5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-thiophen-2-yl]propanamide

Systemtic Name: 2,2-dimethyl-N-[4-methyl-5-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-thiophen-2-yl]propanamide Openeye Name: 2,2-dimethyl-N-[4-methyl-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thienyl]propanamide CAS Name: 2,2-dimethyl-N-[4-methyl-5-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]-2-thiophenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-methyl-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]thiophen-2-yl]propanamide Traditional Name: 2,2-dimethyl-N-[4-methyl-5-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thienyl]propionamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N2CCCCCC2C3=CC=CN3C

InChI

InChI=1S/C22H31N3O2S/c1-15-14-18(23-21(27)22(2,3)4)28-19(15)20(26)25-13-8-6-7-10-17(25)16-11-9-12-24(16)5/h9,11-12,14,17H,6-8,10,13H2,1-5H3,(H,23,27)