N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromanyl-4-(2-methoxyethoxy)benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromanyl-4-(2-methoxyethoxy)benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-bromo-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-bromo-4-(2-methoxyethoxy)benzamide Formula: C23H28BrN3O5S2 MolecularWeight: 570.51952

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

InChI=1S/C23H28BrN3O5S2/c1-31-14-15-32-21-11-6-17(16-20(21)24)22(28)26-23(33)25-18-7-9-19(10-8-18)34(29,30)27-12-4-2-3-5-13-27/h6-11,16H,2-5,12-15H2,1H3,(H2,25,26,28,33)