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

Systemtic Name: 3-butyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-4-5-10-26-21(28)16-9-7-6-8-15(16)19(25-26)20(27)24-22-23-18-14(3)11-13(2)12-17(18)29-22/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,24,27)