methyl 2-[[(3-chloranyl-4-methyl-phenyl)carbamoyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(3-chloranyl-4-methyl-phenyl)carbamoyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-chloro-4-methyl-phenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-chloro-4-methylanilino)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-chloro-4-methylphenyl)carbamoyl-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-chloro-4-methyl-phenyl)carbamoyl-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H24ClN3O3S MolecularWeight: 421.94086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c1-13-8-9-14(10-16(13)21)22-20(26)24(15-6-4-3-5-7-15)11-18-23-17(12-28-18)19(25)27-2/h8-10,12,15H,3-7,11H2,1-2H3,(H,22,26)