S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[2-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]phenyl] ester IUPAC Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-[2-[(4-sulfamoylbenzyl)carbamoyl]phenyl] ester Formula: C24H24N2O7S2 MolecularWeight: 516.58656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)SC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)SC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C24H24N2O7S2/c1-31-19-12-16(13-20(32-2)22(19)33-3)24(28)34-21-7-5-4-6-18(21)23(27)26-14-15-8-10-17(11-9-15)35(25,29)30/h4-13H,14H2,1-3H3,(H,26,27)(H2,25,29,30)