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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

InChI

InChI=1S/C22H22N4O2S/c1-3-4-7-12-26-22(28)17-9-6-5-8-16(17)20(25-26)21(27)24-15-10-11-18-19(13-15)29-14(2)23-18/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,24,27)