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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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