N-(4-bromanyl-3-methyl-phenyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(4-bromo-3-methyl-phenyl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide Traditional Name: 3-(benzylthio)-N-(4-bromo-3-methyl-phenyl)propionamide Formula: C17H18BrNOS MolecularWeight: 364.29992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCSCC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCSCC2=CC=CC=C2)Br

InChI

InChI=1S/C17H18BrNOS/c1-13-11-15(7-8-16(13)18)19-17(20)9-10-21-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,19,20)