N-(6-butyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)nipecotamide Formula: C24H26FN3O2S MolecularWeight: 439.545543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O2S/c1-2-3-5-16-7-12-20-21(14-16)31-24(26-20)27-22(29)18-6-4-13-28(15-18)23(30)17-8-10-19(25)11-9-17/h7-12,14,18H,2-6,13,15H2,1H3,(H,26,27,29)