N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(phenethylamino)-2-sulfanylidene-ethanamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(phenethylamino)-2-sulfanylidene-ethanamide Openeye Name: N-(2,6-dibromo-4-nitro-phenyl)-2-(phenethylamino)-2-thioxo-acetamide CAS Name: N-(2,6-dibromo-4-nitrophenyl)-2-(phenethylamino)-2-sulfanylideneacetamide IUPAC Name: N-(2,6-dibromo-4-nitrophenyl)-2-(phenethylamino)-2-sulfanylideneacetamide Traditional Name: N-(2,6-dibromo-4-nitro-phenyl)-2-(phenethylamino)-2-thioxo-acetamide Formula: C16H13Br2N3O3S MolecularWeight: 487.16572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)C(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)C(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13Br2N3O3S/c17-12-8-11(21(23)24)9-13(18)14(12)20-15(22)16(25)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,25)(H,20,22)