1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethyl)piperidine-3-carbothioic S-acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethyl)piperidine-3-carbothioic S-acid Openeye Name: 3-benzyl-1-tert-butoxycarbonyl-piperidine-3-carbothioic S-acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(phenylmethyl)-3-piperidinecarbothioic S-acid IUPAC Name: 3-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbothioic S-acid Traditional Name: 3-benzyl-1-tert-butoxycarbonyl-thionipecotic acid Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=CC=C2)C(=O)S

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=CC=C2)C(=O)S

InChI

InChI=1S/C18H25NO3S/c1-17(2,3)22-16(21)19-11-7-10-18(13-19,15(20)23)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,23)