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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C21H24N4O6S2 MolecularWeight: 492.56846

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S2/c26-20(15-31-18-9-7-17(8-10-18)25(27)28)23-21(32)22-16-5-11-19(12-6-16)33(29,30)24-13-3-1-2-4-14-24/h5-12H,1-4,13-15H2,(H2,22,23,26,32)