N-[3-(1,3-dithiolan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[3-(1,3-dithiolan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[3-(1,3-dithiolan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[3-(1,3-dithiolan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[3-(1,3-dithiolan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[3-(1,3-dithiolan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C19H19NO3S2 MolecularWeight: 373.48906

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4SCCS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4SCCS4)OC1

InChI

InChI=1S/C19H19NO3S2/c21-18(13-5-6-16-17(12-13)23-8-2-7-22-16)20-15-4-1-3-14(11-15)19-24-9-10-25-19/h1,3-6,11-12,19H,2,7-10H2,(H,20,21)