2-[1-(4-methoxyquinolin-2-yl)carbonylpiperidin-4-yl]-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[1-(4-methoxyquinolin-2-yl)carbonylpiperidin-4-yl]-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(4-methoxyquinoline-2-carbonyl)-4-piperidyl]-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-[1-[(4-methoxy-2-quinolinyl)-oxomethyl]-4-piperidinyl]-N-[5-(prop-2-ynylthio)-1,3,4-thiadiazol-2-yl]-4-thiazolecarboxamide IUPAC Name: 2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-(4-methoxyquinoline-2-carbonyl)-4-piperidyl]-N-[5-(propargylthio)-1,3,4-thiadiazol-2-yl]thiazole-4-carboxamide Formula: C25H22N6O3S3 MolecularWeight: 550.67558

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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)NC5=NN=C(S5)SCC#C

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCC(CC3)C4=NC(=CS4)C(=O)NC5=NN=C(S5)SCC#C

InChI

InChI=1S/C25H22N6O3S3/c1-3-12-35-25-30-29-24(37-25)28-21(32)19-14-36-22(27-19)15-8-10-31(11-9-15)23(33)18-13-20(34-2)16-6-4-5-7-17(16)26-18/h1,4-7,13-15H,8-12H2,2H3,(H,28,29,32)