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-(3-methylphenyl)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-(3-methylphenyl)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-(m-tolyl)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-(3-methylphenyl)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-(3-methylphenyl)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-(m-tolyl)acetamide Formula: C29H28N6O2S2 MolecularWeight: 556.70162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=CC=C5)C(=O)CC(C4)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=CC=C5)C(=O)CC(C4)(C)C

InChI

InChI=1S/C29H28N6O2S2/c1-17-8-7-11-19(12-17)32-23(37)16-38-28-34-33-27(39-28)35-21-13-29(2,3)14-22(36)25(21)24(20(15-30)26(35)31)18-9-5-4-6-10-18/h4-12,24H,13-14,16,31H2,1-3H3,(H,32,37)