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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC

InChI

InChI=1S/C23H24N4O3S/c1-3-5-8-13-27-22(29)17-10-7-6-9-16(17)20(26-27)21(28)25-23-24-18-12-11-15(30-4-2)14-19(18)31-23/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,24,25,28)