2-[4-(5-bromanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C20H24BrN3O2S MolecularWeight: 450.39246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H24BrN3O2S/c1-14-5-3-6-15(2)19(14)22-18(25)13-23-9-4-10-24(12-11-23)20(26)16-7-8-17(21)27-16/h3,5-8H,4,9-13H2,1-2H3,(H,22,25)