N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]ethanamide

Systemtic Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]ethanamide Openeye Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]acetamide CAS Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-propylamino]acetamide IUPAC Name: N-[2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-propylamino]acetamide Traditional Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-2-[[4-(methylthio)phenyl]carbamoyl-propyl-amino]acetamide Formula: C30H33N5O2S MolecularWeight: 527.68032

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C30H33N5O2S/c1-5-17-34(30(37)31-24-12-14-25(38-4)15-13-24)20-29(36)32-28-19-26(23-9-7-6-8-10-23)33-35(28)27-16-11-21(2)18-22(27)3/h6-16,18-19H,5,17,20H2,1-4H3,(H,31,37)(H,32,36)