1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[2-(4-fluoroanilino)-2-keto-ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H23FN4O2S MolecularWeight: 426.507023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O2S/c1-14-3-2-4-18-20(14)25-22(30-18)26-21(29)15-9-11-27(12-10-15)13-19(28)24-17-7-5-16(23)6-8-17/h2-8,15H,9-13H2,1H3,(H,24,28)(H,25,26,29)