propan-2-yl 3-[2-[(6-bromanyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-[(6-bromanyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(6-bromo-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(6-bromo-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Br

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-11(2)26-18(25)12-4-3-5-14(8-12)21-17(24)10-27-19-22-15-7-6-13(20)9-16(15)23-19/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)