3-butyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]phthalazine-1-carboxamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C21H20N4O2S2/c1-3-4-11-25-20(27)15-8-6-5-7-14(15)18(24-25)19(26)22-13-9-10-16-17(12-13)29-21(23-16)28-2/h5-10,12H,3-4,11H2,1-2H3,(H,22,26)