N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorobenzoyl)nipecotamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20ClN3O2S/c22-16-9-7-14(8-10-16)21(27)25-11-3-4-15(13-25)20(26)23-12-19-24-17-5-1-2-6-18(17)28-19/h1-2,5-10,15H,3-4,11-13H2,(H,23,26)