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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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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)CC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-12(2)11-26-21(28)16-8-6-5-7-15(16)19(25-26)20(27)24-22-23-18-14(4)9-13(3)10-17(18)29-22/h5-10,12H,11H2,1-4H3,(H,23,24,27)