2-[butyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(2,5-diphenylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[butyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(2,5-diphenylpyrazol-3-yl)ethanamide Openeye Name: 2-[butyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(2,5-diphenylpyrazol-3-yl)acetamide CAS Name: 2-[butyl-[[4-(methylthio)anilino]-oxomethyl]amino]-N-(2,5-diphenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[butyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(2,5-diphenylpyrazol-3-yl)acetamide Traditional Name: 2-[butyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-(2,5-diphenylpyrazol-3-yl)acetamide Formula: C29H31N5O2S MolecularWeight: 513.65374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O2S/c1-3-4-19-33(29(36)30-23-15-17-25(37-2)18-16-23)21-28(35)31-27-20-26(22-11-7-5-8-12-22)32-34(27)24-13-9-6-10-14-24/h5-18,20H,3-4,19,21H2,1-2H3,(H,30,36)(H,31,35)