methyl 3-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-(cyclohexylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(cyclohexylsulfamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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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)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3CCCCC3

InChI

InChI=1S/C22H25N3O5S2/c1-30-21(27)16-7-5-6-15(14-16)20(26)24-22(31)23-17-10-12-19(13-11-17)32(28,29)25-18-8-3-2-4-9-18/h5-7,10-14,18,25H,2-4,8-9H2,1H3,(H2,23,24,26,31)