2-[(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylsulfanyl]-1,3-benzoxazole CAS Name: 2-[[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methylthio]-1,3-benzoxazole IUPAC Name: 2-[(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylthio]-1,3-benzoxazole Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H26N4O4S2/c1-2-3-10-27-20-9-8-17(33(28,29)26-11-13-30-14-12-26)15-19(20)24-22(27)16-32-23-25-18-6-4-5-7-21(18)31-23/h4-9,15H,2-3,10-14,16H2,1H3