methyl 3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-morpholinosulfonylphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-morpholinosulfonylphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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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)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21N3O6S2/c1-28-19(25)15-4-2-3-14(13-15)18(24)22-20(30)21-16-5-7-17(8-6-16)31(26,27)23-9-11-29-12-10-23/h2-8,13H,9-12H2,1H3,(H2,21,22,24,30)