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

Systemtic Name: tert-butyl 2-[[[1-(4-cyano-4-phenyl-piperidin-1-yl)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-diphenyl-methyl]benzoate Openeye Name: tert-butyl 2-[[[2-(4-cyano-4-phenyl-1-piperidyl)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-diphenyl-methyl]benzoate CAS Name: 2-[[[1-(4-cyano-4-phenyl-1-piperidinyl)-3-mercapto-1-oxopropan-2-yl]amino]-diphenylmethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[[1-(4-cyano-4-phenylpiperidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]amino]-diphenylmethyl]benzoate Traditional Name: 2-[[[2-(4-cyano-4-phenyl-piperidino)-2-keto-1-(mercaptomethyl)ethyl]amino]-diphenyl-methyl]benzoic acid tert-butyl ester Formula: C39H41N3O3S MolecularWeight: 631.82614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CS)C(=O)N4CCC(CC4)(C#N)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CS)C(=O)N4CCC(CC4)(C#N)C5=CC=CC=C5

InChI

InChI=1S/C39H41N3O3S/c1-37(2,3)45-36(44)32-21-13-14-22-33(32)39(30-17-9-5-10-18-30,31-19-11-6-12-20-31)41-34(27-46)35(43)42-25-23-38(28-40,24-26-42)29-15-7-4-8-16-29/h4-22,34,41,46H,23-27H2,1-3H3