(3S)-1-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-p-anisyl-nipecotamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)[C@H]2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S/c1-26-17-10-8-15(9-11-17)13-22-20(25)16-5-4-12-24(14-16)21-23-18-6-2-3-7-19(18)27-21/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,22,25)/t16-/m0/s1