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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-isopentyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isoamyl-4-keto-phthalazine-1-carboxylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CCC(C)C

InChI

InChI=1S/C25H26N4O3S/c1-16(2)12-13-29-23(30)21-7-5-4-6-20(21)22(28-29)24(31)32-14-19-15-33-25(27-19)26-18-10-8-17(3)9-11-18/h4-11,15-16H,12-14H2,1-3H3,(H,26,27)