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

Systemtic Name: 2-[[5-[2-azanyl-4-(4-chlorophenyl)-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[[5-[2-amino-4-(4-chlorophenyl)-3-cyano-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C27H22BrClN6O2S2 MolecularWeight: 641.98958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)Cl)C(=O)CCC4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)Cl)C(=O)CCC4

InChI

InChI=1S/C27H22BrClN6O2S2/c1-14-11-16(28)7-10-19(14)32-22(37)13-38-27-34-33-26(39-27)35-20-3-2-4-21(36)24(20)23(18(12-30)25(35)31)15-5-8-17(29)9-6-15/h5-11,23H,2-4,13,31H2,1H3,(H,32,37)