1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[2-(4-fluoroanilino)-2-keto-ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H23FN4O2S MolecularWeight: 426.507023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=C(C=C4)F

InChI

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