methyl 4-[[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]methyl]benzoate Openeye Name: methyl 4-[[(4-morpholinosulfonylphenyl)carbamothioylamino]methyl]benzoate CAS Name: 4-[[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]methyl]benzoate Traditional Name: 4-[[(4-morpholinosulfonylphenyl)thiocarbamoylamino]methyl]benzoic acid methyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S2/c1-27-19(24)16-4-2-15(3-5-16)14-21-20(29)22-17-6-8-18(9-7-17)30(25,26)23-10-12-28-13-11-23/h2-9H,10-14H2,1H3,(H2,21,22,29)