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

Systemtic Name: methyl 4-methyl-3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-methyl-3-[(4-morpholinosulfonylphenyl)carbamothioylamino]benzoate CAS Name: 4-methyl-3-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate Traditional Name: 4-methyl-3-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H23N3O5S2/c1-14-3-4-15(19(24)27-2)13-18(14)22-20(29)21-16-5-7-17(8-6-16)30(25,26)23-9-11-28-12-10-23/h3-8,13H,9-12H2,1-2H3,(H2,21,22,29)