2-[[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-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-pyridin-3-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-(3-pyridyl)-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-(3-pyridinyl)-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-pyridin-3-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-(3-pyridyl)-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-phenyl-acetamide Formula: C27H25N7O2S2 MolecularWeight: 543.6631

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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=CN=CC=C5)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=CN=CC=C5)C(=O)C1)C

InChI

InChI=1S/C27H25N7O2S2/c1-27(2)11-19-23(20(35)12-27)22(16-7-6-10-30-14-16)18(13-28)24(29)34(19)25-32-33-26(38-25)37-15-21(36)31-17-8-4-3-5-9-17/h3-10,14,22H,11-12,15,29H2,1-2H3,(H,31,36)