4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(2-thienylsulfonyl)piperazino]butan-1-one Formula: C19H22N4O3S3 MolecularWeight: 450.59798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H22N4O3S3/c24-17(7-3-14-28-19-20-15-5-1-2-6-16(15)21-19)22-9-11-23(12-10-22)29(25,26)18-8-4-13-27-18/h1-2,4-6,8,13H,3,7,9-12,14H2,(H,20,21)