N-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O2S/c1-2-11-24-20(26)14-8-4-3-7-13(14)18(23-24)19(25)21-12-17-22-15-9-5-6-10-16(15)27-17/h3-10H,2,11-12H2,1H3,(H,21,25)