N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-(2-phenoxyethoxy)benzamide Formula: C28H31N3O5S2 MolecularWeight: 553.69284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5S2/c32-27(25-12-6-7-13-26(25)36-21-20-35-23-10-4-3-5-11-23)30-28(37)29-22-14-16-24(17-15-22)38(33,34)31-18-8-1-2-9-19-31/h3-7,10-17H,1-2,8-9,18-21H2,(H2,29,30,32,37)