N-[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]ethanamide

Systemtic Name: N-[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-propylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-propylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]-2-[[4-(methylthio)phenyl]carbamoyl-propyl-amino]acetamide Formula: C26H31Cl2N5O2S MolecularWeight: 548.52764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=NN1C2=CC(=C(C=C2)Cl)Cl)C(C)(C)C)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=NN1C2=CC(=C(C=C2)Cl)Cl)C(C)(C)C)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C26H31Cl2N5O2S/c1-6-13-32(25(35)29-17-7-10-19(36-5)11-8-17)16-24(34)30-23-15-22(26(2,3)4)31-33(23)18-9-12-20(27)21(28)14-18/h7-12,14-15H,6,13,16H2,1-5H3,(H,29,35)(H,30,34)