4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]butan-1-one Formula: C20H25N5O4S2 MolecularWeight: 463.5736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H25N5O4S2/c1-14-19(15(2)29-23-14)31(27,28)25-11-9-24(10-12-25)18(26)8-5-13-30-20-21-16-6-3-4-7-17(16)22-20/h3-4,6-7H,5,8-13H2,1-2H3,(H,21,22)