N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyquinolin-2-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyquinolin-2-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyquinoline-2-carbonyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-[1-[(4-methoxy-2-quinolinyl)-oxomethyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyquinoline-2-carbonyl)-4-piperidyl]thiazole-4-carboxamide Formula: C28H26N6O3S MolecularWeight: 526.60944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCC(CC3)C4=NC(=CS4)C(=O)NCC5=NC6=CC=CC=C6N5

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCC(CC3)C4=NC(=CS4)C(=O)NCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C28H26N6O3S/c1-37-24-14-22(30-19-7-3-2-6-18(19)24)28(36)34-12-10-17(11-13-34)27-33-23(16-38-27)26(35)29-15-25-31-20-8-4-5-9-21(20)32-25/h2-9,14,16-17H,10-13,15H2,1H3,(H,29,35)(H,31,32)