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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)nipecotamide Formula: C22H21FN4O3S MolecularWeight: 440.490543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O3S/c1-13(28)24-17-8-9-18-19(11-17)31-22(25-18)26-20(29)15-3-2-10-27(12-15)21(30)14-4-6-16(23)7-5-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,24,28)(H,25,26,29)