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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)Cl

InChI

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