2-[[5-[2-azanyl-3-cyano-4-(5-methylthiophen-2-yl)-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-(5-methylthiophen-2-yl)-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-(5-methyl-2-thienyl)-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-(5-methyl-2-thiophenyl)-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-(5-methylthiophen-2-yl)-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-(5-methyl-2-thienyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(4-ethylphenyl)acetamide Formula: C27H26N6O2S3 MolecularWeight: 562.72934

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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=C(S5)C)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=C(S5)C)C(=O)CCC4

InChI

InChI=1S/C27H26N6O2S3/c1-3-16-8-10-17(11-9-16)30-22(35)14-36-27-32-31-26(38-27)33-19-5-4-6-20(34)24(19)23(18(13-28)25(33)29)21-12-7-15(2)37-21/h7-12,23H,3-6,14,29H2,1-2H3,(H,30,35)