N-(1,3-benzothiazol-2-yl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-oxo-3-pentyl-N-(tetrahydrofuran-2-ylmethyl)phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-oxo-N-(2-oxolanylmethyl)-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-oxo-N-(oxolan-2-ylmethyl)-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(1,3-benzothiazol-2-yl)-4-keto-N-(tetrahydrofurfuryl)phthalazine-1-carboxamide Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC3CCCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC3CCCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H28N4O3S/c1-2-3-8-15-30-24(31)20-12-5-4-11-19(20)23(28-30)25(32)29(17-18-10-9-16-33-18)26-27-21-13-6-7-14-22(21)34-26/h4-7,11-14,18H,2-3,8-10,15-17H2,1H3