3-methoxy-4-phenylmethoxy-N-[(4-sulfamoylphenyl)methyl]benzenecarbothioamide

Systemtic Name: 3-methoxy-4-phenylmethoxy-N-[(4-sulfamoylphenyl)methyl]benzenecarbothioamide Openeye Name: 4-benzyloxy-3-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenecarbothioamide CAS Name: 3-methoxy-4-phenylmethoxy-N-[(4-sulfamoylphenyl)methyl]benzenecarbothioamide IUPAC Name: 3-methoxy-4-phenylmethoxy-N-[(4-sulfamoylphenyl)methyl]benzenecarbothioamide Traditional Name: 4-benzoxy-3-methoxy-N-(4-sulfamoylbenzyl)thiobenzamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S2/c1-27-21-13-18(9-12-20(21)28-15-17-5-3-2-4-6-17)22(29)24-14-16-7-10-19(11-8-16)30(23,25)26/h2-13H,14-15H2,1H3,(H,24,29)(H2,23,25,26)