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

Systemtic Name: 2-[4-(2-azanylidene-6-chloranyl-3-methyl-1,3-benzothiazol-4-yl)piperidin-1-yl]-1-phenyl-ethanone Openeye Name: 2-[4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)-1-piperidyl]-1-phenyl-ethanone CAS Name: 2-[4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)-1-piperidinyl]-1-phenylethanone IUPAC Name: 2-[4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)piperidin-1-yl]-1-phenylethanone Traditional Name: 2-[4-(6-chloro-2-imino-3-methyl-1,3-benzothiazol-4-yl)piperidino]-1-phenyl-ethanone Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C3CCN(CC3)CC(=O)C4=CC=CC=C4)Cl)SC1=N

Isomeric SMILES

CN1C2=C(C=C(C=C2C3CCN(CC3)CC(=O)C4=CC=CC=C4)Cl)SC1=N

InChI

InChI=1S/C21H22ClN3OS/c1-24-20-17(11-16(22)12-19(20)27-21(24)23)14-7-9-25(10-8-14)13-18(26)15-5-3-2-4-6-15/h2-6,11-12,14,23H,7-10,13H2,1H3