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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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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=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c25-20(16-28-18-8-4-3-5-9-18)23-21(29)22-17-10-12-19(13-11-17)30(26,27)24-14-6-1-2-7-15-24/h3-5,8-13H,1-2,6-7,14-16H2,(H2,22,23,25,29)