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

Systemtic Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-pentyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-pentyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(4-methoxyphenyl)-3-pyrazolyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-pentylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-pentylamino]acetamide Traditional Name: 2-[amyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]acetamide Formula: C29H39N5O3S MolecularWeight: 537.71666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)OC)C(C)(C)C)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)OC)C(C)(C)C)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C29H39N5O3S/c1-7-8-9-18-33(28(36)30-21-10-16-24(38-6)17-11-21)20-27(35)31-26-19-25(29(2,3)4)32-34(26)22-12-14-23(37-5)15-13-22/h10-17,19H,7-9,18,20H2,1-6H3,(H,30,36)(H,31,35)