N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-naphthalen-2-yloxy-ethanamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-naphthalen-2-yloxy-ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-naphthyloxy)acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-(2-naphthalenyloxy)acetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-naphthalen-2-yloxyacetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-(2-naphthoxy)acetamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27N3O4S2/c29-24(18-32-22-12-9-19-7-3-4-8-20(19)17-22)27-25(33)26-21-10-13-23(14-11-21)34(30,31)28-15-5-1-2-6-16-28/h3-4,7-14,17H,1-2,5-6,15-16,18H2,(H2,26,27,29,33)