dimethyl 5-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-morpholinosulfonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H23N3O7S2 MolecularWeight: 493.55322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7S2/c1-29-19(25)14-11-15(20(26)30-2)13-17(12-14)23-21(32)22-16-3-5-18(6-4-16)33(27,28)24-7-9-31-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23,32)