N-(azepan-1-ylcarbothioyl)-2-[1,6-bis(bromanyl)naphthalen-2-yl]oxy-ethanamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-2-[1,6-bis(bromanyl)naphthalen-2-yl]oxy-ethanamide Openeye Name: N-(azepane-1-carbothioyl)-2-[(1,6-dibromo-2-naphthyl)oxy]acetamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-2-[(1,6-dibromo-2-naphthalenyl)oxy]acetamide IUPAC Name: N-(azepane-1-carbothioyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide Traditional Name: N-(azepane-1-carbothioyl)-2-(1,6-dibromo-2-naphthoxy)acetamide Formula: C19H20Br2N2O2S MolecularWeight: 500.2473

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

InChI

InChI=1S/C19H20Br2N2O2S/c20-14-6-7-15-13(11-14)5-8-16(18(15)21)25-12-17(24)22-19(26)23-9-3-1-2-4-10-23/h5-8,11H,1-4,9-10,12H2,(H,22,24,26)