N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzofuran-2-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)coumarilamide Formula: C26H22N2O2S2 MolecularWeight: 458.59508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5)C#N

InChI

InChI=1S/C26H22N2O2S2/c27-14-20-19-11-5-7-13-23(19)32-26(20)28-25(29)24-21(18-10-4-6-12-22(18)30-24)16-31-15-17-8-2-1-3-9-17/h1-4,6,8-10,12H,5,7,11,13,15-16H2,(H,28,29)