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

Systemtic Name: N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-pentyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-pentyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-pentylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-pentylamino]acetamide Traditional Name: 2-[amyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]acetamide Formula: C29H39N5O2S MolecularWeight: 521.71726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2C)C(C)(C)C)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2C)C(C)(C)C)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C29H39N5O2S/c1-7-8-11-18-33(28(36)30-22-14-16-23(37-6)17-15-22)20-27(35)31-26-19-25(29(3,4)5)32-34(26)24-13-10-9-12-21(24)2/h9-10,12-17,19H,7-8,11,18,20H2,1-6H3,(H,30,36)(H,31,35)