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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-oxo-3-phenyl-N-(tetrahydrofuran-2-ylmethyl)phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-oxo-N-(2-oxolanylmethyl)-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-oxo-N-(oxolan-2-ylmethyl)-3-phenylphthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-keto-3-phenyl-N-(tetrahydrofurfuryl)phthalazine-1-carboxamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CC(OC1)CN(C2=NC3=CC=CC=C3S2)C(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C27H22N4O3S/c32-25-21-13-5-4-12-20(21)24(29-31(25)18-9-2-1-3-10-18)26(33)30(17-19-11-8-16-34-19)27-28-22-14-6-7-15-23(22)35-27/h1-7,9-10,12-15,19H,8,11,16-17H2