S-[2,6-bis(oxidanylidene)-1-[(4-phenoxyphenyl)methyl]piperidin-3-yl] benzenecarbothioate

Systemtic Name: S-[2,6-bis(oxidanylidene)-1-[(4-phenoxyphenyl)methyl]piperidin-3-yl] benzenecarbothioate Openeye Name: S-[2,6-dioxo-1-[(4-phenoxyphenyl)methyl]-3-piperidyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2,6-dioxo-1-[(4-phenoxyphenyl)methyl]-3-piperidinyl] ester IUPAC Name: S-[2,6-dioxo-1-[(4-phenoxyphenyl)methyl]piperidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2,6-diketo-1-(4-phenoxybenzyl)-3-piperidyl] ester Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(=O)C1SC(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C(=O)C1SC(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H21NO4S/c27-23-16-15-22(31-25(29)19-7-3-1-4-8-19)24(28)26(23)17-18-11-13-21(14-12-18)30-20-9-5-2-6-10-20/h1-14,22H,15-17H2