1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]-3-propan-2-yl-benzimidazole-2-thione

Systemtic Name: 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]-3-propan-2-yl-benzimidazole-2-thione Openeye Name: 1-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-isopropyl-benzimidazole-2-thione CAS Name: 1-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-3-propan-2-yl-2-benzimidazolethione IUPAC Name: 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]-3-propan-2-ylbenzimidazole-2-thione Traditional Name: 1-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-isopropyl-benzimidazole-2-thione Formula: C20H28N5O3S2+ MolecularWeight: 450.59802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=S)C(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=S)C(C)C

InChI

InChI=1S/C20H27N5O3S2/c1-14(2)25-18-8-6-5-7-17(18)24(20(25)29)13-22-9-11-23(12-10-22)30(26,27)19-15(3)21-28-16(19)4/h5-8,14H,9-13H2,1-4H3/p+1