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-phenethyl-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-phenethyl-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-phenethyl-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-phenethylacetamide 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-phenethylacetamide 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-phenethyl-acetamide Formula: C29H29N7O2S2 MolecularWeight: 571.71626

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NCCC4=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)NCCC4=CC=CC=C4)N)C#N)C5=CN=CC=C5)C(=O)C1)C

InChI

InChI=1S/C29H29N7O2S2/c1-29(2)13-21-25(22(37)14-29)24(19-9-6-11-32-16-19)20(15-30)26(31)36(21)27-34-35-28(40-27)39-17-23(38)33-12-10-18-7-4-3-5-8-18/h3-9,11,16,24H,10,12-14,17,31H2,1-2H3,(H,33,38)