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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-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)NC3=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(C=C(C=C4S3)C)C

InChI

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