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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=CC=C5C)C(=O)CCC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=CC=C5C)C(=O)CCC4

InChI

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