N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C24H19N5O2S MolecularWeight: 441.50496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C24H19N5O2S/c30-22-14-8-2-1-7-13(14)20(28-29-22)23(31)27-24-19(15-9-3-6-12-18(15)32-24)21-25-16-10-4-5-11-17(16)26-21/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,25,26)(H,27,31)(H,29,30)