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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(4-chlorophenyl)acetamide Formula: C28H25ClN6O4S2 MolecularWeight: 609.1189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClN6O4S2/c1-38-21-11-6-15(12-22(21)39-2)24-18(13-30)26(31)35(19-4-3-5-20(36)25(19)24)27-33-34-28(41-27)40-14-23(37)32-17-9-7-16(29)8-10-17/h6-12,24H,3-5,14,31H2,1-2H3,(H,32,37)