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

Systemtic Name: 3-(4-ethylphenyl)-1-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-1-(2-pyridin-2-ylethyl)urea Openeye Name: 3-(4-ethylphenyl)-1-[[5-nitro-2-(p-tolylsulfanyl)phenyl]methyl]-1-[2-(2-pyridyl)ethyl]urea CAS Name: 3-(4-ethylphenyl)-1-[[2-[(4-methylphenyl)thio]-5-nitrophenyl]methyl]-1-[2-(2-pyridinyl)ethyl]urea IUPAC Name: 3-(4-ethylphenyl)-1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-1-(2-pyridin-2-ylethyl)urea Traditional Name: 3-(4-ethylphenyl)-1-[5-nitro-2-(p-tolylthio)benzyl]-1-[2-(2-pyridyl)ethyl]urea Formula: C30H30N4O3S MolecularWeight: 526.6492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N(CCC2=CC=CC=N2)CC3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N(CCC2=CC=CC=N2)CC3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)C

InChI

InChI=1S/C30H30N4O3S/c1-3-23-9-11-26(12-10-23)32-30(35)33(19-17-25-6-4-5-18-31-25)21-24-20-27(34(36)37)13-16-29(24)38-28-14-7-22(2)8-15-28/h4-16,18,20H,3,17,19,21H2,1-2H3,(H,32,35)