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

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C26H23N5O2S/c1-2-31-26(33)16-10-4-3-9-15(16)22(30-31)24(32)29-25-21(17-11-5-8-14-20(17)34-25)23-27-18-12-6-7-13-19(18)28-23/h3-4,6-7,9-10,12-13H,2,5,8,11,14H2,1H3,(H,27,28)(H,29,32)