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

Systemtic Name: 2-bromanyl-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-(homoveratrylcarbamoyl)-3-(methylthio)propyl]benzamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4S/c1-28-19-9-8-15(14-20(19)29-2)10-12-24-22(27)18(11-13-30-3)25-21(26)16-6-4-5-7-17(16)23/h4-9,14,18H,10-13H2,1-3H3,(H,24,27)(H,25,26)