5-chloranyl-2-[4-[4-[5-chloranyl-2-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one hydrochloride

Systemtic Name: 5-chloranyl-2-[4-[4-[5-chloranyl-2-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one hydrochloride Openeye Name: 5-chloro-2-[4-[4-[5-chloro-2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]-1-piperidyl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride CAS Name: 5-chloro-2-[4-[4-[5-chloro-2-oxo-3-(2,2,2-trifluoroethyl)-1-benzimidazolyl]-1-piperidinyl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride IUPAC Name: 5-chloro-2-[4-[4-[5-chloro-2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]piperidin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride Traditional Name: 5-chloro-2-[4-[4-[5-chloro-2-keto-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]piperidino]butyl]-1,1-diketo-1,2-benzothiazol-3-one hydrochloride Formula: C25H26Cl3F3N4O4S MolecularWeight: 641.91755

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C=C(C=C3)Cl)N(C2=O)CC(F)(F)F)CCCCN4C(=O)C5=C(S4(=O)=O)C=CC(=C5)Cl.Cl

Isomeric SMILES

C1CN(CCC1N2C3=C(C=C(C=C3)Cl)N(C2=O)CC(F)(F)F)CCCCN4C(=O)C5=C(S4(=O)=O)C=CC(=C5)Cl.Cl

InChI

InChI=1S/C25H25Cl2F3N4O4S.ClH/c26-16-4-6-22-19(13-16)23(35)33(39(22,37)38)10-2-1-9-31-11-7-18(8-12-31)34-20-5-3-17(27)14-21(20)32(24(34)36)15-25(28,29)30;/h3-6,13-14,18H,1-2,7-12,15H2;1H