2-bromanyl-N-[1-[methyl-[(4-methylphenyl)methyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[methyl-[(4-methylphenyl)methyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[methyl(p-tolylmethyl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[methyl-[(4-methylphenyl)methyl]amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[methyl-[(4-methylphenyl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[methyl-(4-methylbenzyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H25BrN2O2S/c1-15-8-10-16(11-9-15)14-24(2)21(26)19(12-13-27-3)23-20(25)17-6-4-5-7-18(17)22/h4-11,19H,12-14H2,1-3H3,(H,23,25)