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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(2-methyl-1,3-benzothiazol-6-yl)phthalazine-1-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

InChI

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