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

Systemtic Name: 2-[[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]thio]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-[[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-[[5-(2-amino-3-cyano-5-keto-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]thio]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C29H27ClN6O3S2 MolecularWeight: 607.14608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27ClN6O3S2/c1-29(2)12-20-25(21(37)13-29)24(16-7-5-4-6-8-16)18(14-31)26(32)36(20)27-34-35-28(41-27)40-15-23(38)33-19-11-17(30)9-10-22(19)39-3/h4-11,24H,12-13,15,32H2,1-3H3,(H,33,38)