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

Systemtic Name: 2-[[5-(2-azanyl-3-cyano-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-thiazol-2-yl-acetamide CAS Name: 2-[[5-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-1,3,4-thiadiazol-2-yl]thio]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[[5-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-4-(2-thienyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-thiazol-2-yl-acetamide Formula: C21H17N7O2S4 MolecularWeight: 527.66538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=NC=CS4)N)C#N)C5=CC=CS5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=NC=CS4)N)C#N)C5=CC=CS5)C(=O)C1

InChI

InChI=1S/C21H17N7O2S4/c22-9-11-16(14-5-2-7-31-14)17-12(3-1-4-13(17)29)28(18(11)23)20-26-27-21(34-20)33-10-15(30)25-19-24-6-8-32-19/h2,5-8,16H,1,3-4,10,23H2,(H,24,25,30)