N-benzo[e][1,3]benzothiazol-2-yl-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C23H18N4O2S MolecularWeight: 414.47962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C23H18N4O2S/c1-2-13-27-22(29)17-10-6-5-9-16(17)20(26-27)21(28)25-23-24-19-15-8-4-3-7-14(15)11-12-18(19)30-23/h3-12H,2,13H2,1H3,(H,24,25,28)