2-[[5-(2-azanyl-3-cyano-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[[5-(2-azanyl-3-cyano-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-(3-pyridyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-(3-pyridinyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[[5-(2-amino-3-cyano-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-4-(3-pyridyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2,4-dimethoxyphenyl)acetamide Formula: C27H25N7O4S2 MolecularWeight: 575.6619

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CN=CC=C5)C(=O)CCC4)OC

InChI

InChI=1S/C27H25N7O4S2/c1-37-16-8-9-18(21(11-16)38-2)31-22(36)14-39-27-33-32-26(40-27)34-19-6-3-7-20(35)24(19)23(17(12-28)25(34)29)15-5-4-10-30-13-15/h4-5,8-11,13,23H,3,6-7,14,29H2,1-2H3,(H,31,36)