N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-pentyl-amino]ethanamide

Systemtic Name: N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-pentyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-pentyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(2-chlorophenyl)-3-pyrazolyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-pentylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-pentylamino]acetamide Traditional Name: 2-[amyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]acetamide Formula: C28H36ClN5O2S MolecularWeight: 542.13574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C(C)(C)C)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C(C)(C)C)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C28H36ClN5O2S/c1-6-7-10-17-33(27(36)30-20-13-15-21(37-5)16-14-20)19-26(35)31-25-18-24(28(2,3)4)32-34(25)23-12-9-8-11-22(23)29/h8-9,11-16,18H,6-7,10,17,19H2,1-5H3,(H,30,36)(H,31,35)