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

Systemtic Name: N-[(2S)-1-(azocan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide Openeye Name: N-[(1S)-1-(azocane-1-carbonyl)-3-methylsulfanyl-propyl]-2-bromo-benzamide CAS Name: N-[(2S)-1-(1-azocanyl)-4-(methylthio)-1-oxobutan-2-yl]-2-bromobenzamide IUPAC Name: N-[(2S)-1-(azocan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-bromobenzamide Traditional Name: N-[(1S)-1-(azocane-1-carbonyl)-3-(methylthio)propyl]-2-bromo-benzamide Formula: C19H27BrN2O2S MolecularWeight: 427.39888

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCCCCC1)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCCCCCC1)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C19H27BrN2O2S/c1-25-14-11-17(19(24)22-12-7-3-2-4-8-13-22)21-18(23)15-9-5-6-10-16(15)20/h5-6,9-10,17H,2-4,7-8,11-14H2,1H3,(H,21,23)/t17-/m0/s1