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

Systemtic Name: [2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-(N-acetylanilino)thiazol-4-yl]methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-(N-acetylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-(N-acetylanilino)thiazol-4-yl]methyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)N(C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)N(C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C26H26N4O4S/c1-3-4-10-15-29-24(32)22-14-9-8-13-21(22)23(28-29)25(33)34-16-19-17-35-26(27-19)30(18(2)31)20-11-6-5-7-12-20/h5-9,11-14,17H,3-4,10,15-16H2,1-2H3