N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-[[(1-methyl-2-imidazolyl)thio]methyl]-2-furancarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-5-[[(1-methylimidazol-2-yl)thio]methyl]-2-furamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=C(O2)CSC3=NC=CN3C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=C(O2)CSC3=NC=CN3C

InChI

InChI=1S/C20H21BrN4O3S/c1-13-10-14(21)4-6-16(13)23-18(26)11-25(3)19(27)17-7-5-15(28-17)12-29-20-22-8-9-24(20)2/h4-10H,11-12H2,1-3H3,(H,23,26)