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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H24N4O2S/c1-2-3-10-17-31-27(33)19-12-5-4-11-18(19)24(30-31)25(32)28-21-14-7-6-13-20(21)26-29-22-15-8-9-16-23(22)34-26/h4-9,11-16H,2-3,10,17H2,1H3,(H,28,32)