S-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]piperidin-3-yl] benzenecarbothioate

Systemtic Name: S-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]piperidin-3-yl] benzenecarbothioate Openeye Name: S-[2-oxo-1-[(4-phenoxyphenyl)methyl]-3-piperidyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-oxo-1-[(4-phenoxyphenyl)methyl]-3-piperidinyl] ester IUPAC Name: S-[2-oxo-1-[(4-phenoxyphenyl)methyl]piperidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-keto-1-(4-phenoxybenzyl)-3-piperidyl] ester Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(C(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO3S/c27-24-23(30-25(28)20-8-3-1-4-9-20)12-7-17-26(24)18-19-13-15-22(16-14-19)29-21-10-5-2-6-11-21/h1-6,8-11,13-16,23H,7,12,17-18H2