1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-methoxyphenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-methoxyphenyl)sulfanyl-propan-1-one Openeye Name: 1-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-3-(4-methoxyphenyl)sulfanyl-propan-1-one CAS Name: 1-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-3-[(4-methoxyphenyl)thio]-1-propanone IUPAC Name: 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one Traditional Name: 1-[3-(1H-benzimidazol-2-yl)piperidino]-3-[(4-methoxyphenyl)thio]propan-1-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H25N3O2S/c1-27-17-8-10-18(11-9-17)28-14-12-21(26)25-13-4-5-16(15-25)22-23-19-6-2-3-7-20(19)24-22/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,23,24)