tert-butyl 4-[4-[1-[(7-carbamothioylnaphthalen-2-yl)oxymethyl-ethoxy-phosphoryl]oxyethyl]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[1-[(7-carbamothioylnaphthalen-2-yl)oxymethyl-ethoxy-phosphoryl]oxyethyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[1-[(7-carbamothioyl-2-naphthyl)oxymethyl-ethoxy-phosphoryl]oxyethyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[1-[(7-carbamothioyl-2-naphthalenyl)oxymethyl-ethoxyphosphoryl]oxyethyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[1-[(7-carbamothioylnaphthalen-2-yl)oxymethyl-ethoxyphosphoryl]oxyethyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[1-[ethoxy-[(7-thiocarbamoyl-2-naphthoxy)methyl]phosphoryl]oxyethyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H41N2O7PS MolecularWeight: 628.715901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC1=CC2=C(C=CC(=C2)C(=S)N)C=C1)OC(C)C3=CC=C(C=C3)OC4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOP(=O)(COC1=CC2=C(C=CC(=C2)C(=S)N)C=C1)OC(C)C3=CC=C(C=C3)OC4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H41N2O7PS/c1-6-38-42(36,21-37-29-14-11-24-7-8-25(30(33)43)19-26(24)20-29)41-22(2)23-9-12-27(13-10-23)39-28-15-17-34(18-16-28)31(35)40-32(3,4)5/h7-14,19-20,22,28H,6,15-18,21H2,1-5H3,(H2,33,43)