2-[4-(2-azanylidene-3-methyl-1,3-benzothiazol-4-yl)-2-(4-fluorophenyl)piperidin-1-yl]ethanal

Systemtic Name: 2-[4-(2-azanylidene-3-methyl-1,3-benzothiazol-4-yl)-2-(4-fluorophenyl)piperidin-1-yl]ethanal Openeye Name: 2-[2-(4-fluorophenyl)-4-(2-imino-3-methyl-1,3-benzothiazol-4-yl)-1-piperidyl]acetaldehyde CAS Name: 2-[2-(4-fluorophenyl)-4-(2-imino-3-methyl-1,3-benzothiazol-4-yl)-1-piperidinyl]acetaldehyde IUPAC Name: 2-[2-(4-fluorophenyl)-4-(2-imino-3-methyl-1,3-benzothiazol-4-yl)piperidin-1-yl]acetaldehyde Traditional Name: 2-[2-(4-fluorophenyl)-4-(2-imino-3-methyl-1,3-benzothiazol-4-yl)piperidino]acetaldehyde Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=C2SC1=N)C3CCN(C(C3)C4=CC=C(C=C4)F)CC=O

Isomeric SMILES

CN1C2=C(C=CC=C2SC1=N)C3CCN(C(C3)C4=CC=C(C=C4)F)CC=O

InChI

InChI=1S/C21H22FN3OS/c1-24-20-17(3-2-4-19(20)27-21(24)23)15-9-10-25(11-12-26)18(13-15)14-5-7-16(22)8-6-14/h2-8,12,15,18,23H,9-11,13H2,1H3