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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-[(2-methylthiazol-4-yl)methylsulfanyl]propanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-[(2-methyl-4-thiazolyl)methylthio]propanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-[(2-methylthiazol-4-yl)methylthio]propionamide Formula: C17H20BrN3O2S2 MolecularWeight: 442.3936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O2S2/c1-11-7-13(18)3-4-15(11)21-17(23)8-19-16(22)5-6-24-9-14-10-25-12(2)20-14/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,22)(H,21,23)