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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]amino]acetamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C20H21BrN4O2S/c1-3-25-17-7-5-4-6-16(17)24-20(25)28-12-19(27)22-11-18(26)23-15-9-8-14(21)10-13(15)2/h4-10H,3,11-12H2,1-2H3,(H,22,27)(H,23,26)