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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C24H26N4O2S MolecularWeight: 434.55384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H26N4O2S/c1-3-5-6-11-16-28-22(29)18-13-8-7-12-17(18)21(26-28)23(30)27(4-2)24-25-19-14-9-10-15-20(19)31-24/h7-10,12-15H,3-6,11,16H2,1-2H3