N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(1-bromanylnaphthalen-2-yl)oxy-ethanamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(1-bromanylnaphthalen-2-yl)oxy-ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-[(1-bromo-2-naphthyl)oxy]acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-[(1-bromo-2-naphthalenyl)oxy]acetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(1-bromonaphthalen-2-yl)oxyacetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-(1-bromo-2-naphthoxy)acetamide Formula: C25H26BrN3O4S2 MolecularWeight: 576.52564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C25H26BrN3O4S2/c26-24-21-8-4-3-7-18(21)9-14-22(24)33-17-23(30)28-25(34)27-19-10-12-20(13-11-19)35(31,32)29-15-5-1-2-6-16-29/h3-4,7-14H,1-2,5-6,15-17H2,(H2,27,28,30,34)