4-oxidanylidene-3-(phenylmethyl)-N-[3-(thiophen-2-ylcarbonylamino)phenyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[3-(thiophen-2-ylcarbonylamino)phenyl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-N-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[3-(2-thenoylamino)phenyl]phthalazine-1-carboxamide Formula: C27H20N4O3S MolecularWeight: 480.5377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H20N4O3S/c32-25(23-14-7-15-35-23)28-19-10-6-11-20(16-19)29-26(33)24-21-12-4-5-13-22(21)27(34)31(30-24)17-18-8-2-1-3-9-18/h1-16H,17H2,(H,28,32)(H,29,33)