6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carbothioamide

Systemtic Name: 6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carbothioamide Openeye Name: 6-bromo-3,4-dihydro-2H-1,5-benzodioxepine-8-carbothioamide CAS Name: 6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-carbothioamide IUPAC Name: 6-bromo-3,4-dihydro-2H-1,5-benzodioxepine-8-carbothioamide Traditional Name: 6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-carbothioamide Formula: C10H10BrNO2S MolecularWeight: 288.1609

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=S)N)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=S)N)Br)OC1

InChI

InChI=1S/C10H10BrNO2S/c11-7-4-6(10(12)15)5-8-9(7)14-3-1-2-13-8/h4-5H,1-3H2,(H2,12,15)