5-chloranyl-2-[4-[4-(5-chloranyl-3-ethyl-2-oxidanylidene-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-3-ethyl-2-oxidanylidene-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-3-ethyl-2-oxo-benzimidazol-1-yl)-1-piperidyl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride CAS Name: 5-chloro-2-[4-[4-(5-chloro-3-ethyl-2-oxo-1-benzimidazolyl)-1-piperidinyl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride IUPAC Name: 5-chloro-2-[4-[4-(5-chloro-3-ethyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one hydrochloride Traditional Name: 5-chloro-2-[4-[4-(5-chloro-3-ethyl-2-keto-benzimidazol-1-yl)piperidino]butyl]-1,1-diketo-1,2-benzothiazol-3-one hydrochloride Formula: C25H29Cl3N4O4S MolecularWeight: 587.94616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)Cl)N(C1=O)C3CCN(CC3)CCCCN4C(=O)C5=C(S4(=O)=O)C=CC(=C5)Cl.Cl

Isomeric SMILES

CCN1C2=C(C=CC(=C2)Cl)N(C1=O)C3CCN(CC3)CCCCN4C(=O)C5=C(S4(=O)=O)C=CC(=C5)Cl.Cl

InChI

InChI=1S/C25H28Cl2N4O4S.ClH/c1-2-29-22-16-18(27)5-7-21(22)31(25(29)33)19-9-13-28(14-10-19)11-3-4-12-30-24(32)20-15-17(26)6-8-23(20)36(30,34)35;/h5-8,15-16,19H,2-4,9-14H2,1H3;1H