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

Systemtic Name: 2-bromanyl-N-[1-[[3-(methylcarbamoyl)phenyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[[3-(methylcarbamoyl)phenyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[[3-(methylcarbamoyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[[3-(methylcarbamoyl)benzyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-23-19(26)15-7-5-6-14(12-15)13-24-21(28)18(10-11-29-2)25-20(27)16-8-3-4-9-17(16)22/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)