methyl 3-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(diallylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-[bis(prop-2-enyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(diallylsulfamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(CC=C)CC=C

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(CC=C)CC=C

InChI

InChI=1S/C22H23N3O5S2/c1-4-13-25(14-5-2)32(28,29)19-11-9-18(10-12-19)23-22(31)24-20(26)16-7-6-8-17(15-16)21(27)30-3/h4-12,15H,1-2,13-14H2,3H3,(H2,23,24,26,31)