N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide

Systemtic Name: N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide Openeye Name: N-[1-(azepane-1-carbonyl)-3-methylsulfanyl-propyl]-2-bromo-benzamide CAS Name: N-[1-(1-azepanyl)-4-(methylthio)-1-oxobutan-2-yl]-2-bromobenzamide IUPAC Name: N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-bromobenzamide Traditional Name: N-[1-(azepane-1-carbonyl)-3-(methylthio)propyl]-2-bromo-benzamide Formula: C18H25BrN2O2S MolecularWeight: 413.3723

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCCCC1)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CSCCC(C(=O)N1CCCCCC1)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H25BrN2O2S/c1-24-13-10-16(18(23)21-11-6-2-3-7-12-21)20-17(22)14-8-4-5-9-15(14)19/h4-5,8-9,16H,2-3,6-7,10-13H2,1H3,(H,20,22)