N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-2-(2-thienylmethylsulfanyl)benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(thiophen-2-ylmethylthio)benzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-2-(2-thenylthio)benzamide Formula: C22H21BrN2O2S2 MolecularWeight: 489.44834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=CC=C2SCC3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=CC=C2SCC3=CC=CS3

InChI

InChI=1S/C22H21BrN2O2S2/c1-15-12-16(23)9-10-19(15)24-21(26)13-25(2)22(27)18-7-3-4-8-20(18)29-14-17-6-5-11-28-17/h3-12H,13-14H2,1-2H3,(H,24,26)