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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(4-fluorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-4-(4-fluorophenyl)-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C27H23FN6O3S2 MolecularWeight: 562.638323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23FN6O3S2/c1-37-18-5-2-4-17(12-18)31-22(36)14-38-27-33-32-26(39-27)34-20-6-3-7-21(35)24(20)23(19(13-29)25(34)30)15-8-10-16(28)11-9-15/h2,4-5,8-12,23H,3,6-7,14,30H2,1H3,(H,31,36)