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

Systemtic Name: N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-phenethyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-phenethyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(2-chlorophenyl)-3-pyrazolyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-phenethylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-phenethylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]-2-[[4-(methylthio)phenyl]carbamoyl-phenethyl-amino]acetamide Formula: C31H34ClN5O2S MolecularWeight: 576.15196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SC)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SC)C4=CC=CC=C4Cl

InChI

InChI=1S/C31H34ClN5O2S/c1-31(2,3)27-20-28(37(35-27)26-13-9-8-12-25(26)32)34-29(38)21-36(19-18-22-10-6-5-7-11-22)30(39)33-23-14-16-24(40-4)17-15-23/h5-17,20H,18-19,21H2,1-4H3,(H,33,39)(H,34,38)