3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-N-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-N-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-benzyl-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-N-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-benzyl-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: N-benzyl-4-keto-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=NN(C(=O)C5=CC=CC=C54)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=NN(C(=O)C5=CC=CC=C54)C

InChI

InChI=1S/C25H20N4O2S/c1-16-9-8-14-20-21(16)26-25(32-20)29(15-17-10-4-3-5-11-17)24(31)22-18-12-6-7-13-19(18)23(30)28(2)27-22/h3-14H,15H2,1-2H3