tert-butyl N-[1-[[3-(3-methylphenoxy)phenyl]amino]-3-(triphenylmethyl)sulfanyl-propyl]carbamate

Systemtic Name: tert-butyl N-[1-[[3-(3-methylphenoxy)phenyl]amino]-3-(triphenylmethyl)sulfanyl-propyl]carbamate Openeye Name: tert-butyl N-[1-[3-(3-methylphenoxy)anilino]-3-tritylsulfanyl-propyl]carbamate CAS Name: N-[1-[3-(3-methylphenoxy)anilino]-3-[(triphenylmethyl)thio]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-(3-methylphenoxy)anilino]-3-tritylsulfanylpropyl]carbamate Traditional Name: N-[1-[3-(3-methylphenoxy)anilino]-3-(tritylthio)propyl]carbamic acid tert-butyl ester Formula: C40H42N2O3S MolecularWeight: 630.83808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=CC(=C2)NC(CCSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=CC(=C2)NC(CCSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C40H42N2O3S/c1-30-16-14-24-35(28-30)44-36-25-15-23-34(29-36)41-37(42-38(43)45-39(2,3)4)26-27-46-40(31-17-8-5-9-18-31,32-19-10-6-11-20-32)33-21-12-7-13-22-33/h5-25,28-29,37,41H,26-27H2,1-4H3,(H,42,43)