4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]butan-1-one Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H29N5O2S/c27-19(8-5-15-29-21-22-17-6-1-2-7-18(17)23-21)26-13-11-24(12-14-26)16-20(28)25-9-3-4-10-25/h1-2,6-7H,3-5,8-16H2,(H,22,23)