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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(2,5-dimethoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(2,5-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(2,5-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(2,5-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-4-(2,5-dimethoxyphenyl)-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C28H25N7O6S2 MolecularWeight: 619.6714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-])N)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C28H25N7O6S2/c1-40-17-9-10-22(41-2)18(12-17)24-19(13-29)26(30)34(20-7-4-8-21(36)25(20)24)27-32-33-28(43-27)42-14-23(37)31-15-5-3-6-16(11-15)35(38)39/h3,5-6,9-12,24H,4,7-8,14,30H2,1-2H3,(H,31,37)