2-[[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-thiophen-2-yl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-thiophen-2-yl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(2-thienyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-[2-amino-3-cyano-5-keto-7,7-dimethyl-4-(2-thienyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-phenyl-acetamide Formula: C26H24N6O2S3 MolecularWeight: 548.70276

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC=CC=C4)N)C#N)C5=CC=CS5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC=CC=C4)N)C#N)C5=CC=CS5)C(=O)C1)C

InChI

InChI=1S/C26H24N6O2S3/c1-26(2)11-17-22(18(33)12-26)21(19-9-6-10-35-19)16(13-27)23(28)32(17)24-30-31-25(37-24)36-14-20(34)29-15-7-4-3-5-8-15/h3-10,21H,11-12,14,28H2,1-2H3,(H,29,34)