N-(4-bromanyl-2-methyl-phenyl)-2-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]ethanamide Openeye Name: 2-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]acetamide Traditional Name: 2-[[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C21H21BrN4O2S/c1-3-10-26-18-7-5-4-6-17(18)25-21(26)29-13-20(28)23-12-19(27)24-16-9-8-15(22)11-14(16)2/h3-9,11H,1,10,12-13H2,2H3,(H,23,28)(H,24,27)