N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H16N4O2S MolecularWeight: 388.44234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCC5=CC=CC=C54

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCC5=CC=CC=C54

InChI

InChI=1S/C21H16N4O2S/c1-25-20(27)15-9-5-4-8-14(15)18(24-25)19(26)23-21-22-17-13-7-3-2-6-12(13)10-11-16(17)28-21/h2-9H,10-11H2,1H3,(H,22,23,26)