N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-2-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(4-thiazolylmethylthio)benzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-2-(thiazol-4-ylmethylthio)benzamide Formula: C21H20BrN3O2S2 MolecularWeight: 490.4364

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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=CSC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C21H20BrN3O2S2/c1-14-9-15(22)7-8-18(14)24-20(26)10-25(2)21(27)17-5-3-4-6-19(17)29-12-16-11-28-13-23-16/h3-9,11,13H,10,12H2,1-2H3,(H,24,26)