3-[(4-chlorophenyl)methylsulfanyl]-5-(2-phenylpropan-2-ylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-phenylpropan-2-ylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(1-methyl-1-phenyl-ethyl)carbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[[oxo-(2-phenylpropan-2-ylamino)methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-phenylpropan-2-ylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(cumylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)NC(=O)NC2=C(C(=NS2)SCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)NC(=O)NC2=C(C(=NS2)SCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H20ClN3O3S2/c1-21(2,14-6-4-3-5-7-14)24-20(28)23-17-16(19(26)27)18(25-30-17)29-12-13-8-10-15(22)11-9-13/h3-11H,12H2,1-2H3,(H,26,27)(H2,23,24,28)