[2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[3-(2-methylthiazol-4-yl)anilino]-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-[3-(2-methyl-4-thiazolyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-keto-2-[3-(2-methylthiazol-4-yl)anilino]ethyl] ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC(=C3)C4=CSC(=N4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC(=C3)C4=CSC(=N4)C

InChI

InChI=1S/C24H22N4O4S/c1-3-11-28-23(30)19-10-5-4-9-18(19)22(27-28)24(31)32-13-21(29)26-17-8-6-7-16(12-17)20-14-33-15(2)25-20/h4-10,12,14H,3,11,13H2,1-2H3,(H,26,29)