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

Systemtic Name: N-[4-[[4-[(3-bromanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[(3-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(3-bromo-2-thiophenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[(3-bromothiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[(3-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C19H24BrN3OS MolecularWeight: 422.38236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(C=CS3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(C=CS3)Br

InChI

InChI=1S/C19H24BrN3OS/c1-15(24)21-17-5-3-16(4-6-17)13-22-8-2-9-23(11-10-22)14-19-18(20)7-12-25-19/h3-7,12H,2,8-11,13-14H2,1H3,(H,21,24)