N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-[[2-keto-2-(p-toluidino)ethyl]thio]benzamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NCC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NCC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C28H28N4O2S/c1-19-13-15-22(16-14-19)30-27(33)18-35-26-12-8-7-11-24(26)28(34)29-17-25-20(2)31-32(21(25)3)23-9-5-4-6-10-23/h4-16H,17-18H2,1-3H3,(H,29,34)(H,30,33)