3-(azepan-1-ylsulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]benzamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)N4C=CNC4=S

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)N4C=CNC4=S

InChI

InChI=1S/C22H24N4O3S2/c27-21(24-18-8-6-9-19(16-18)26-14-11-23-22(26)30)17-7-5-10-20(15-17)31(28,29)25-12-3-1-2-4-13-25/h5-11,14-16H,1-4,12-13H2,(H,23,30)(H,24,27)