N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-3-[(2-methylthiazol-4-yl)methylsulfanyl]propanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-4-thiazolyl)methylthio]propanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-3-[(2-methylthiazol-4-yl)methylthio]propionamide Formula: C18H22BrN3O2S2 MolecularWeight: 456.42018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCSCC2=CSC(=N2)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CCSCC2=CSC(=N2)C

InChI

InChI=1S/C18H22BrN3O2S2/c1-12-8-14(19)4-5-16(12)21-17(23)9-22(3)18(24)6-7-25-10-15-11-26-13(2)20-15/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,21,23)