2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]ethanamide

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]ethanamide Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]acetamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-[4-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]phenyl]acetamide IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]acetamide Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-N-[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]acetamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

InChI

InChI=1S/C24H29N5O2S/c1-27-14-6-8-20(27)21-7-4-3-5-15-29(21)23(31)18-9-11-19(12-10-18)26-22(30)17-32-24-25-13-16-28(24)2/h6,8-14,16,21H,3-5,7,15,17H2,1-2H3,(H,26,30)