3-(3-methylphenyl)-1-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-1-(2-pyridin-2-ylethyl)urea

Systemtic Name: 3-(3-methylphenyl)-1-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-1-(2-pyridin-2-ylethyl)urea Openeye Name: 3-(m-tolyl)-1-[[5-nitro-2-(p-tolylsulfanyl)phenyl]methyl]-1-[2-(2-pyridyl)ethyl]urea CAS Name: 3-(3-methylphenyl)-1-[[2-[(4-methylphenyl)thio]-5-nitrophenyl]methyl]-1-[2-(2-pyridinyl)ethyl]urea IUPAC Name: 3-(3-methylphenyl)-1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-1-(2-pyridin-2-ylethyl)urea Traditional Name: 3-(m-tolyl)-1-[5-nitro-2-(p-tolylthio)benzyl]-1-[2-(2-pyridyl)ethyl]urea Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])CN(CCC3=CC=CC=N3)C(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])CN(CCC3=CC=CC=N3)C(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C29H28N4O3S/c1-21-9-12-27(13-10-21)37-28-14-11-26(33(35)36)19-23(28)20-32(17-15-24-7-3-4-16-30-24)29(34)31-25-8-5-6-22(2)18-25/h3-14,16,18-19H,15,17,20H2,1-2H3,(H,31,34)