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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-isobutyl-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-isobutyl-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H20N4O2S/c1-13(2)12-25(21-22-16-10-6-7-11-17(16)28-21)20(27)18-14-8-4-5-9-15(14)19(26)24(3)23-18/h4-11,13H,12H2,1-3H3