3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]propanamide

Systemtic Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]propanamide Openeye Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]propanamide CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]propanamide IUPAC Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]propanamide Traditional Name: 3-(p-phenetylsulfonylamino)-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]propionamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=CC(=C2)N3C=CNC3=S

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=CC(=C2)N3C=CNC3=S

InChI

InChI=1S/C20H22N4O4S2/c1-2-28-17-6-8-18(9-7-17)30(26,27)22-11-10-19(25)23-15-4-3-5-16(14-15)24-13-12-21-20(24)29/h3-9,12-14,22H,2,10-11H2,1H3,(H,21,29)(H,23,25)