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

Systemtic Name: 2-[2-(1-adamantyl)-4-(2-azanylidene-6-chloranyl-3-methyl-1,3-benzothiazol-4-yl)piperidin-1-yl]ethanal Openeye Name: 2-[2-(1-adamantyl)-4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)-1-piperidyl]acetaldehyde CAS Name: 2-[2-(1-adamantyl)-4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)-1-piperidinyl]acetaldehyde IUPAC Name: 2-[2-(1-adamantyl)-4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)piperidin-1-yl]acetaldehyde Traditional Name: 2-[2-(1-adamantyl)-4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)piperidino]acetaldehyde Formula: C25H32ClN3OS MolecularWeight: 458.05908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C3CCN(C(C3)C45CC6CC(C4)CC(C6)C5)CC=O)Cl)SC1=N

Isomeric SMILES

CN1C2=C(C=C(C=C2C3CCN(C(C3)C45CC6CC(C4)CC(C6)C5)CC=O)Cl)SC1=N

InChI

InChI=1S/C25H32ClN3OS/c1-28-23-20(10-19(26)11-21(23)31-24(28)27)18-2-3-29(4-5-30)22(9-18)25-12-15-6-16(13-25)8-17(7-15)14-25/h5,10-11,15-18,22,27H,2-4,6-9,12-14H2,1H3