tert-butyl 2-[[[1-(4-ethanoyl-4-phenyl-piperidin-1-yl)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-diphenyl-methyl]benzoate

Systemtic Name: tert-butyl 2-[[[1-(4-ethanoyl-4-phenyl-piperidin-1-yl)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-diphenyl-methyl]benzoate Openeye Name: tert-butyl 2-[[[2-(4-acetyl-4-phenyl-1-piperidyl)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-diphenyl-methyl]benzoate CAS Name: 2-[[[1-(4-acetyl-4-phenyl-1-piperidinyl)-3-mercapto-1-oxopropan-2-yl]amino]-diphenylmethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[[1-(4-acetyl-4-phenylpiperidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]amino]-diphenylmethyl]benzoate Traditional Name: 2-[[[2-(4-acetyl-4-phenyl-piperidino)-2-keto-1-(mercaptomethyl)ethyl]amino]-diphenyl-methyl]benzoic acid tert-butyl ester Formula: C40H44N2O4S MolecularWeight: 648.85336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C(=O)C(CS)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1(CCN(CC1)C(=O)C(CS)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C40H44N2O4S/c1-29(43)39(30-16-8-5-9-17-30)24-26-42(27-25-39)36(44)35(28-47)41-40(31-18-10-6-11-19-31,32-20-12-7-13-21-32)34-23-15-14-22-33(34)37(45)46-38(2,3)4/h5-23,35,41,47H,24-28H2,1-4H3