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

Systemtic Name: N-[4-[[4-(3-bromanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(3-bromo-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(3-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=C(C=CS3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)Br

InChI

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