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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br)OC

InChI

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