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-phenethyl-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-phenethyl-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-phenethyl-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-phenethylacetamide 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-phenethylacetamide 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-phenethyl-acetamide Formula: C30H30N6O2S2 MolecularWeight: 570.7282

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

InChI

InChI=1S/C30H30N6O2S2/c1-30(2)15-22-26(23(37)16-30)25(20-11-7-4-8-12-20)21(17-31)27(32)36(22)28-34-35-29(40-28)39-18-24(38)33-14-13-19-9-5-3-6-10-19/h3-12,25H,13-16,18,32H2,1-2H3,(H,33,38)