2-[[5-[2-azanyl-3-cyano-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(4-isopropylphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[5-(2-amino-3-cyano-5-keto-4-p-cumenyl-4,6,7,8-tetrahydroquinolin-1-yl)-1,3,4-thiadiazol-2-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C30H30N6O3S2 MolecularWeight: 586.7276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC=C(C=C5)OC)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC=C(C=C5)OC)N)C#N

InChI

InChI=1S/C30H30N6O3S2/c1-17(2)18-7-9-19(10-8-18)26-22(15-31)28(32)36(23-5-4-6-24(37)27(23)26)29-34-35-30(41-29)40-16-25(38)33-20-11-13-21(39-3)14-12-20/h7-14,17,26H,4-6,16,32H2,1-3H3,(H,33,38)