2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)amino]butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)amino]butan-2-yl]benzamide Openeye Name: 2-bromo-N-[3-methylsulfanyl-1-[(3,4,5-trimethoxyphenyl)carbamoyl]propyl]benzamide CAS Name: 2-bromo-N-[4-(methylthio)-1-oxo-1-(3,4,5-trimethoxyanilino)butan-2-yl]benzamide IUPAC Name: 2-bromo-N-[4-methylsulfanyl-1-oxo-1-(3,4,5-trimethoxyanilino)butan-2-yl]benzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-[(3,4,5-trimethoxyphenyl)carbamoyl]propyl]benzamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O5S/c1-27-17-11-13(12-18(28-2)19(17)29-3)23-21(26)16(9-10-30-4)24-20(25)14-7-5-6-8-15(14)22/h5-8,11-12,16H,9-10H2,1-4H3,(H,23,26)(H,24,25)