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

Systemtic Name: N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-propylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-propylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]-2-[[4-(methylthio)phenyl]carbamoyl-propyl-amino]acetamide Formula: C27H35N5O2S MolecularWeight: 493.6641

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2C)C(C)(C)C)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2C)C(C)(C)C)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C27H35N5O2S/c1-7-16-31(26(34)28-20-12-14-21(35-6)15-13-20)18-25(33)29-24-17-23(27(3,4)5)30-32(24)22-11-9-8-10-19(22)2/h8-15,17H,7,16,18H2,1-6H3,(H,28,34)(H,29,33)