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

Systemtic Name: 3-butyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-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:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

InChI

InChI=1S/C21H20N4O2S/c1-3-4-11-25-21(27)16-8-6-5-7-15(16)19(24-25)20(26)23-14-9-10-17-18(12-14)28-13(2)22-17/h5-10,12H,3-4,11H2,1-2H3,(H,23,26)