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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O2S/c1-3-13-25-19(26)15-10-6-5-9-14(15)18(23-25)20(27)24(4-2)21-22-16-11-7-8-12-17(16)28-21/h5-12H,3-4,13H2,1-2H3