2-[4-[(3-bromanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(3-bromanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(3-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(3-bromo-2-thiophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(3-bromothiophen-2-yl)methyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[(3-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C20H26BrN3OS MolecularWeight: 436.40894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)CC3=C(C=CS3)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)CC3=C(C=CS3)Br

InChI

InChI=1S/C20H26BrN3OS/c1-15-5-3-6-16(2)20(15)22-19(25)14-24-9-4-8-23(10-11-24)13-18-17(21)7-12-26-18/h3,5-7,12H,4,8-11,13-14H2,1-2H3,(H,22,25)