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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)isonipecotamide 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)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O2S/c1-2-3-4-16-5-10-20-21(15-16)31-24(26-20)27-22(29)17-11-13-28(14-12-17)23(30)18-6-8-19(25)9-7-18/h5-10,15,17H,2-4,11-14H2,1H3,(H,26,27,29)