tert-butyl N-[1-[(4-phenoxyphenyl)amino]-3-(triphenylmethyl)sulfanyl-propyl]carbamate

Systemtic Name: tert-butyl N-[1-[(4-phenoxyphenyl)amino]-3-(triphenylmethyl)sulfanyl-propyl]carbamate Openeye Name: tert-butyl N-[1-(4-phenoxyanilino)-3-tritylsulfanyl-propyl]carbamate CAS Name: N-[1-(4-phenoxyanilino)-3-[(triphenylmethyl)thio]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-phenoxyanilino)-3-tritylsulfanylpropyl]carbamate Traditional Name: N-[1-(4-phenoxyanilino)-3-(tritylthio)propyl]carbamic acid tert-butyl ester Formula: C39H40N2O3S MolecularWeight: 616.8115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C39H40N2O3S/c1-38(2,3)44-37(42)41-36(40-33-24-26-35(27-25-33)43-34-22-14-7-15-23-34)28-29-45-39(30-16-8-4-9-17-30,31-18-10-5-11-19-31)32-20-12-6-13-21-32/h4-27,36,40H,28-29H2,1-3H3,(H,41,42)