N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenyl)sulfanyl-benzamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenyl)sulfanyl-benzamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenyl)sulfanyl-benzamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-cyanophenyl)thio]benzamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenyl)sulfanylbenzamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-cyanophenyl)thio]benzamide Formula: C22H15BrN2O3S MolecularWeight: 467.3351

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C22H15BrN2O3S/c23-16-11-18-19(28-10-9-27-18)12-17(16)25-22(26)15-6-2-4-8-21(15)29-20-7-3-1-5-14(20)13-24/h1-8,11-12H,9-10H2,(H,25,26)