4-oxidanylidene-N-[3-(phenylmethyl)-1,3-thiazol-2-ylidene]-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-(phenylmethyl)-1,3-thiazol-2-ylidene]-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(3-benzylthiazol-2-ylidene)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[3-(phenylmethyl)-2-thiazolylidene]-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(3-benzyl-1,3-thiazol-2-ylidene)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(3-benzyl-4-thiazolin-2-ylidene)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N=C3N(C=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N=C3N(C=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-2-12-26-21(28)18-11-7-6-10-17(18)19(24-26)20(27)23-22-25(13-14-29-22)15-16-8-4-3-5-9-16/h3-11,13-14H,2,12,15H2,1H3