[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)NC4=CC=C(C=C4)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)NC4=CC=C(C=C4)C

InChI

InChI=1S/C26H28N4O3S/c1-3-4-5-8-15-30-24(31)22-10-7-6-9-21(22)23(29-30)25(32)33-16-20-17-34-26(28-20)27-19-13-11-18(2)12-14-19/h6-7,9-14,17H,3-5,8,15-16H2,1-2H3,(H,27,28)