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

Systemtic Name: 3-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-(4-methyl-1,3-benzothiazol-2-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=NC4=C(C=CC=C4S3)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(C=CC=C4S3)C

InChI

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