3-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C26H20N4O4S MolecularWeight: 484.5264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

InChI

InChI=1S/C26H20N4O4S/c1-16-8-7-13-20-22(16)27-26(35-20)29(14-17-9-3-2-4-10-17)21(31)15-30-24(32)19-12-6-5-11-18(19)23(28-30)25(33)34/h2-13H,14-15H2,1H3,(H,33,34)