1-[(2,4-dimethoxyphenyl)methyl]-3-naphthalen-1-yl-1-[2-(triphenylmethyl)sulfanylethyl]urea

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-3-naphthalen-1-yl-1-[2-(triphenylmethyl)sulfanylethyl]urea Openeye Name: 1-[(2,4-dimethoxyphenyl)methyl]-3-(1-naphthyl)-1-(2-tritylsulfanylethyl)urea CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-3-(1-naphthalenyl)-1-[2-[(triphenylmethyl)thio]ethyl]urea IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-3-naphthalen-1-yl-1-(2-tritylsulfanylethyl)urea Traditional Name: 1-(2,4-dimethoxybenzyl)-3-(1-naphthyl)-1-[2-(tritylthio)ethyl]urea Formula: C41H38N2O3S MolecularWeight: 638.81702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(CCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=CC6=CC=CC=C65)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN(CCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=CC6=CC=CC=C65)OC

InChI

InChI=1S/C41H38N2O3S/c1-45-36-26-25-32(39(29-36)46-2)30-43(40(44)42-38-24-14-16-31-15-12-13-23-37(31)38)27-28-47-41(33-17-6-3-7-18-33,34-19-8-4-9-20-34)35-21-10-5-11-22-35/h3-26,29H,27-28,30H2,1-2H3,(H,42,44)