2-[[1,3-benzothiazol-2-yl(phenethyl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: 2-[[1,3-benzothiazol-2-yl(phenethyl)amino]methyl]piperidine-1-carboxylate Openeye Name: 2-[[1,3-benzothiazol-2-yl(phenethyl)amino]methyl]piperidine-1-carboxylate CAS Name: 2-[[1,3-benzothiazol-2-yl(phenethyl)amino]methyl]-1-piperidinecarboxylate IUPAC Name: 2-[[1,3-benzothiazol-2-yl(phenethyl)amino]methyl]piperidine-1-carboxylate Traditional Name: 2-[[1,3-benzothiazol-2-yl(phenethyl)amino]methyl]piperidine-1-carboxylate Formula: C22H24N3O2S- MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CN(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)C(=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CN(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)C(=O)[O-]

InChI

InChI=1S/C22H25N3O2S/c26-22(27)25-14-7-6-10-18(25)16-24(15-13-17-8-2-1-3-9-17)21-23-19-11-4-5-12-20(19)28-21/h1-5,8-9,11-12,18H,6-7,10,13-16H2,(H,26,27)/p-1