3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NC4=CC5=C(C=C4)NC(=O)N5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NC4=CC5=C(C=C4)NC(=O)N5

InChI

InChI=1S/C21H18N4O4S2/c26-20(22-15-5-6-16-17(11-15)24-21(27)23-16)19-18(8-10-30-19)31(28,29)25-9-7-13-3-1-2-4-14(13)12-25/h1-6,8,10-11H,7,9,12H2,(H,22,26)(H2,23,24,27)