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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-(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=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

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