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

Systemtic Name: N-[4-[[4-(5-bromanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(5-bromo-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C19H22BrN3O2S MolecularWeight: 436.36588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H22BrN3O2S/c1-14(24)21-16-5-3-15(4-6-16)13-22-9-2-10-23(12-11-22)19(25)17-7-8-18(20)26-17/h3-8H,2,9-13H2,1H3,(H,21,24)