S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 2-methylbenzenecarbothioate

Systemtic Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 2-methylbenzenecarbothioate Openeye Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[2-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]phenyl] ester IUPAC Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[2-[(4-sulfamoylbenzyl)carbamoyl]phenyl] ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)SC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H20N2O4S2/c1-15-6-2-3-7-18(15)22(26)29-20-9-5-4-8-19(20)21(25)24-14-16-10-12-17(13-11-16)30(23,27)28/h2-13H,14H2,1H3,(H,24,25)(H2,23,27,28)