N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3COC4=CC=CC=C4O3)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3COC4=CC=CC=C4O3)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O4S/c29-24(21-16-31-19-11-5-6-12-20(19)32-21)28-26-23(18-10-4-7-13-22(18)33-26)25(30)27-15-14-17-8-2-1-3-9-17/h1-3,5-6,8-9,11-12,21H,4,7,10,13-16H2,(H,27,30)(H,28,29)