tert-butyl N-[1-[(3-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl)amino]-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(3-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl)amino]-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[[2-methyl-1-(phenylcarbamoyl)butyl]amino]methyl]-2-tritylsulfanyl-ethyl]carbamate CAS Name: N-[1-[(1-anilino-3-methyl-1-oxopentan-2-yl)amino]-3-[(triphenylmethyl)thio]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(1-anilino-3-methyl-1-oxopentan-2-yl)amino]-3-tritylsulfanylpropan-2-yl]carbamate Traditional Name: N-[1-[[[2-methyl-1-(phenylcarbamoyl)butyl]amino]methyl]-2-(tritylthio)ethyl]carbamic acid tert-butyl ester Formula: C39H47N3O3S MolecularWeight: 637.87378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=CC=C1)NCC(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)NC1=CC=CC=C1)NCC(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C39H47N3O3S/c1-6-29(2)35(36(43)41-33-25-17-10-18-26-33)40-27-34(42-37(44)45-38(3,4)5)28-46-39(30-19-11-7-12-20-30,31-21-13-8-14-22-31)32-23-15-9-16-24-32/h7-26,29,34-35,40H,6,27-28H2,1-5H3,(H,41,43)(H,42,44)