N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(phenoxymethyl)-N-thiochroman-4-yl-benzofuran-2-carboxamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(phenoxymethyl)-2-benzofurancarboxamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Traditional Name: 3-(phenoxymethyl)-N-thiochroman-4-yl-coumarilamide Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

InChI=1S/C25H21NO3S/c27-25(26-21-14-15-30-23-13-7-5-11-19(21)23)24-20(16-28-17-8-2-1-3-9-17)18-10-4-6-12-22(18)29-24/h1-13,21H,14-16H2,(H,26,27)