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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCC(C)C)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCC(C)C)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C29H39N5O2S/c1-20(2)15-16-33(28(36)30-22-11-13-24(37-7)14-12-22)19-27(35)31-26-18-25(29(4,5)6)32-34(26)23-10-8-9-21(3)17-23/h8-14,17-18,20H,15-16,19H2,1-7H3,(H,30,36)(H,31,35)