tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-propanethioyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-propanethioyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(1-naphthylmethyl)-3-pyrimidin-2-yl-propanethioyl]amino]hexanoate CAS Name: 2-[[2-(1-naphthalenylmethyl)-3-(2-pyrimidinyl)-1-sulfanylidenepropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-ylpropanethioyl]amino]hexanoate Traditional Name: 2-[[2-(1-naphthylmethyl)-3-(2-pyrimidyl)propanethioyl]amino]hexanoic acid tert-butyl ester Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=S)C(CC1=CC=CC2=CC=CC=C21)CC3=NC=CC=N3

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=S)C(CC1=CC=CC2=CC=CC=C21)CC3=NC=CC=N3

InChI

InChI=1S/C28H35N3O2S/c1-5-6-15-24(27(32)33-28(2,3)4)31-26(34)22(19-25-29-16-10-17-30-25)18-21-13-9-12-20-11-7-8-14-23(20)21/h7-14,16-17,22,24H,5-6,15,18-19H2,1-4H3,(H,31,34)