3-[3-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[4-(2-thioxo-3H-benzimidazol-1-yl)-1-piperidyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)-1-piperidinyl]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[4-(2-thioxo-3H-benzimidazol-1-yl)piperidino]propyl]-1H-benzimidazol-2-one Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCN4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCN4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C22H25N5OS/c28-21-23-17-6-1-3-8-19(17)26(21)13-5-12-25-14-10-16(11-15-25)27-20-9-4-2-7-18(20)24-22(27)29/h1-4,6-9,16H,5,10-15H2,(H,23,28)(H,24,29)