2-methylpropyl 3-phenylsulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoate

Systemtic Name: 2-methylpropyl 3-phenylsulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoate Openeye Name: isobutyl 3-phenylsulfanyl-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]-3-(phenylthio)propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-phenylsulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoate Traditional Name: 3-(phenylthio)-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid isobutyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(CSC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

CC(C)COC(=O)C(CSC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C26H26N4O3S/c1-17(2)15-33-26(32)23(16-34-20-6-4-3-5-7-20)30-25(31)19-8-9-21-22(14-19)29-24(28-21)18-10-12-27-13-11-18/h3-14,17,23H,15-16H2,1-2H3,(H,28,29)(H,30,31)