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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CCN(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/c1-20(2)16-17-33(28(36)30-21-8-14-24(38-7)15-9-21)19-27(35)31-26-18-25(29(3,4)5)32-34(26)22-10-12-23(37-6)13-11-22/h8-15,18,20H,16-17,19H2,1-7H3,(H,30,36)(H,31,35)