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

Systemtic Name: propan-2-yl 3-phenylsulfanyl-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3S/c1-16(2)32-25(31)22(15-33-19-6-4-3-5-7-19)29-24(30)18-8-9-20-21(14-18)28-23(27-20)17-10-12-26-13-11-17/h3-14,16,22H,15H2,1-2H3,(H,27,28)(H,29,30)