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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC

InChI

InChI=1S/C21H20N4O3S/c1-3-11-25-20(27)15-8-6-5-7-14(15)18(24-25)19(26)23-21-22-16-10-9-13(28-4-2)12-17(16)29-21/h5-10,12H,3-4,11H2,1-2H3,(H,22,23,26)