N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H20N4O2S/c1-2-15-29-25(31)17-10-4-3-9-16(17)22(28-29)23(30)26-19-12-6-5-11-18(19)24-27-20-13-7-8-14-21(20)32-24/h3-14H,2,15H2,1H3,(H,26,30)