(phenylmethyl) 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-4-phenyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: benzyl 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-phenyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-4-phenyl-piperidine-1-carboxylic acid benzyl ester Formula: C28H27N3O3S MolecularWeight: 485.59728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S/c32-25(30-26-29-23-13-7-8-14-24(23)35-26)19-28(22-11-5-2-6-12-22)15-17-31(18-16-28)27(33)34-20-21-9-3-1-4-10-21/h1-14H,15-20H2,(H,29,30,32)