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

Systemtic Name: 3-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC

InChI

InChI=1S/C22H22N4O3S/c1-3-5-12-26-21(28)16-9-7-6-8-15(16)19(25-26)20(27)24-22-23-17-11-10-14(29-4-2)13-18(17)30-22/h6-11,13H,3-5,12H2,1-2H3,(H,23,24,27)