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

Systemtic Name: N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-2-[(4-methylsulfanylphenyl)carbamoyl-(phenylmethyl)amino]ethanamide Openeye Name: 2-[benzyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]acetamide CAS Name: N-[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-(phenylmethyl)amino]acetamide IUPAC Name: 2-[benzyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[benzyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]acetamide Formula: C31H35N5O2S MolecularWeight: 541.7069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C31H35N5O2S/c1-22-10-9-13-25(18-22)36-28(19-27(34-36)31(2,3)4)33-29(37)21-35(20-23-11-7-6-8-12-23)30(38)32-24-14-16-26(39-5)17-15-24/h6-19H,20-21H2,1-5H3,(H,32,38)(H,33,37)