3-hexyl-4-oxidanylidene-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide

Systemtic Name: 3-hexyl-4-oxidanylidene-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-hexyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide CAS Name: 3-hexyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCCC4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCCC4

InChI

InChI=1S/C22H26N4O2S/c1-2-3-4-9-14-26-21(28)16-11-6-5-10-15(16)19(25-26)20(27)24-22-23-17-12-7-8-13-18(17)29-22/h5-6,10-11H,2-4,7-9,12-14H2,1H3,(H,23,24,27)