N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C

InChI

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