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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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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)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-11(2)25-20(27)15-8-6-5-7-14(15)18(24-25)19(26)23-21-22-17-13(4)9-12(3)10-16(17)28-21/h5-11H,1-4H3,(H,22,23,26)