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

Systemtic Name: ethyl 2-[[cyclohexyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclohexyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[[4-(methylthio)anilino]-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclohexyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H27N3O3S2/c1-3-27-20(25)18-14-29-19(23-18)13-24(16-7-5-4-6-8-16)21(26)22-15-9-11-17(28-2)12-10-15/h9-12,14,16H,3-8,13H2,1-2H3,(H,22,26)