2-bromanyl-N-[1-[[3-(methoxymethyl)phenyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[[3-(methoxymethyl)phenyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[[3-(methoxymethyl)phenyl]methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[[3-(methoxymethyl)phenyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[[3-(methoxymethyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[[3-(methoxymethyl)benzyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=CC(=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

COCC1=CC=CC(=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H25BrN2O3S/c1-27-14-16-7-5-6-15(12-16)13-23-21(26)19(10-11-28-2)24-20(25)17-8-3-4-9-18(17)22/h3-9,12,19H,10-11,13-14H2,1-2H3,(H,23,26)(H,24,25)