1-(1,3-benzothiazol-2-yl)-N-[2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-N-[2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]ethyl]piperidine-3-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-N-[2-[(3-fluoro-4-methyl-benzoyl)amino]ethyl]piperidine-3-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-N-[2-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-N-[2-[(3-fluoro-4-methyl-benzoyl)amino]ethyl]nipecotamide Formula: C23H25FN4O2S MolecularWeight: 440.533603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C23H25FN4O2S/c1-15-8-9-16(13-18(15)24)21(29)25-10-11-26-22(30)17-5-4-12-28(14-17)23-27-19-6-2-3-7-20(19)31-23/h2-3,6-9,13,17H,4-5,10-12,14H2,1H3,(H,25,29)(H,26,30)