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

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(3-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(m-tolyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-4-(m-tolyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2,4-dimethylphenyl)acetamide Formula: C29H28N6O2S2 MolecularWeight: 556.70162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N6O2S2/c1-16-6-4-7-19(13-16)25-20(14-30)27(31)35(22-8-5-9-23(36)26(22)25)28-33-34-29(39-28)38-15-24(37)32-21-11-10-17(2)12-18(21)3/h4,6-7,10-13,25H,5,8-9,15,31H2,1-3H3,(H,32,37)