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

Systemtic Name: 2-bromanyl-N-[1-[(2,3-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[(2,3-dimethoxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[(2,3-dimethoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[(2,3-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-(o-veratrylcarbamoyl)propyl]benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H25BrN2O4S/c1-27-18-10-6-7-14(19(18)28-2)13-23-21(26)17(11-12-29-3)24-20(25)15-8-4-5-9-16(15)22/h4-10,17H,11-13H2,1-3H3,(H,23,26)(H,24,25)