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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-5-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloranylpyridin-2-yl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-chloro-2-pyridinyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloropyridin-2-yl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(5-chloro-2-pyridyl)acetamide Formula: C28H26ClN7O5S2 MolecularWeight: 640.13294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=NC=C(C=C5)Cl)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=NC=C(C=C5)Cl)N)C#N

InChI

InChI=1S/C28H26ClN7O5S2/c1-39-19-9-14(10-20(40-2)25(19)41-3)23-16(11-30)26(31)36(17-5-4-6-18(37)24(17)23)27-34-35-28(43-27)42-13-22(38)33-21-8-7-15(29)12-32-21/h7-10,12,23H,4-6,13,31H2,1-3H3,(H,32,33,38)