2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Formula: C17H13BrN2O3S2 MolecularWeight: 437.33072

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H13BrN2O3S2/c18-10-7-13-14(23-6-5-22-13)8-12(10)19-16(21)9-24-17-20-11-3-1-2-4-15(11)25-17/h1-4,7-8H,5-6,9H2,(H,19,21)