4-[2-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[[(1-cyclopropyl-2-imidazolyl)thio]methyl]-1-propyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1-propylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[[(1-cyclopropylimidazol-2-yl)thio]methyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC=CN4C5CC5

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC=CN4C5CC5

InChI

InChI=1S/C21H27N5O3S2/c1-2-8-26-19-6-5-17(31(27,28)24-10-12-29-13-11-24)14-18(19)23-20(26)15-30-21-22-7-9-25(21)16-3-4-16/h5-7,9,14,16H,2-4,8,10-13,15H2,1H3