N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-isobutyl-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-isobutyl-4-keto-3H-phthalazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC(C)C)C(=O)C3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC(C)C)C(=O)C3=NNC(=O)C4=CC=CC=C43)C

InChI

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