2-[(4-bromophenyl)methylsulfanyl]-N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]propanamide

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]propanamide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide CAS Name: 2-[(4-bromophenyl)methylthio]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide Traditional Name: 2-[(4-bromobenzyl)thio]-N-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]propionamide Formula: C18H21BrN2O2S MolecularWeight: 409.34054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)C(C)SCC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C(C)SCC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C18H21BrN2O2S/c1-11-8-12(2)21-18(23)16(11)9-20-17(22)13(3)24-10-14-4-6-15(19)7-5-14/h4-8,13H,9-10H2,1-3H3,(H,20,22)(H,21,23)