2-[4-(2-azanylidene-6-chloranyl-3-methyl-1,3-benzothiazol-4-yl)-2-(3-fluorophenyl)piperidin-1-yl]ethanal

Systemtic Name: 2-[4-(2-azanylidene-6-chloranyl-3-methyl-1,3-benzothiazol-4-yl)-2-(3-fluorophenyl)piperidin-1-yl]ethanal Openeye Name: 2-[4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)-2-(3-fluorophenyl)-1-piperidyl]acetaldehyde CAS Name: 2-[4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)-2-(3-fluorophenyl)-1-piperidinyl]acetaldehyde IUPAC Name: 2-[4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)-2-(3-fluorophenyl)piperidin-1-yl]acetaldehyde Traditional Name: 2-[4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)-2-(3-fluorophenyl)piperidino]acetaldehyde Formula: C21H21ClFN3OS MolecularWeight: 417.927343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C3CCN(C(C3)C4=CC(=CC=C4)F)CC=O)Cl)SC1=N

Isomeric SMILES

CN1C2=C(C=C(C=C2C3CCN(C(C3)C4=CC(=CC=C4)F)CC=O)Cl)SC1=N

InChI

InChI=1S/C21H21ClFN3OS/c1-25-20-17(11-15(22)12-19(20)28-21(25)24)13-5-6-26(7-8-27)18(10-13)14-3-2-4-16(23)9-14/h2-4,8-9,11-13,18,24H,5-7,10H2,1H3