2-[[5-[2-azanyl-3-cyano-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-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-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-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-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-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-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-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-p-phenetyl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]thio]-N-phenyl-acetamide Formula: C30H30N6O3S2 MolecularWeight: 586.7276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC(=O)NC5=CC=CC=C5)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC(=O)NC5=CC=CC=C5)N)C#N

InChI

InChI=1S/C30H30N6O3S2/c1-4-39-20-12-10-18(11-13-20)25-21(16-31)27(32)36(22-14-30(2,3)15-23(37)26(22)25)28-34-35-29(41-28)40-17-24(38)33-19-8-6-5-7-9-19/h5-13,25H,4,14-15,17,32H2,1-3H3,(H,33,38)