4-[3-[2-[2-[2-(benzimidazol-1-yl)-4-chloranyl-phenyl]-1,3-oxazol-5-yl]ethyl]-1,2-dioxiran-3-yl]-1,4-thiazepane 1-oxide

Systemtic Name: 4-[3-[2-[2-[2-(benzimidazol-1-yl)-4-chloranyl-phenyl]-1,3-oxazol-5-yl]ethyl]-1,2-dioxiran-3-yl]-1,4-thiazepane 1-oxide Openeye Name: 4-[3-[2-[2-[2-(benzimidazol-1-yl)-4-chloro-phenyl]oxazol-5-yl]ethyl]dioxiran-3-yl]-1,4-thiazepane 1-oxide CAS Name: 4-[3-[2-[2-[2-(1-benzimidazolyl)-4-chlorophenyl]-5-oxazolyl]ethyl]-3-dioxiranyl]-1,4-thiazepane 1-oxide IUPAC Name: 4-[3-[2-[2-[2-(benzimidazol-1-yl)-4-chlorophenyl]-1,3-oxazol-5-yl]ethyl]dioxiran-3-yl]-1,4-thiazepane 1-oxide Traditional Name: 4-[3-[2-[2-[2-(benzimidazol-1-yl)-4-chloro-phenyl]oxazol-5-yl]ethyl]dioxiran-3-yl]-1,4-thiazepane 1-oxide Formula: C24H23ClN4O4S MolecularWeight: 498.98182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCS(=O)C1)C2(OO2)CCC3=CN=C(O3)C4=C(C=C(C=C4)Cl)N5C=NC6=CC=CC=C65

Isomeric SMILES

C1CN(CCS(=O)C1)C2(OO2)CCC3=CN=C(O3)C4=C(C=C(C=C4)Cl)N5C=NC6=CC=CC=C65

InChI

InChI=1S/C24H23ClN4O4S/c25-17-6-7-19(22(14-17)29-16-27-20-4-1-2-5-21(20)29)23-26-15-18(31-23)8-9-24(32-33-24)28-10-3-12-34(30)13-11-28/h1-2,4-7,14-16H,3,8-13H2