3-[[2-[1-[3-[(4-methylphenyl)methylsulfanyl]propanoyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[2-[1-[3-[(4-methylphenyl)methylsulfanyl]propanoyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[2-[1-[3-(p-tolylmethylsulfanyl)propanoyl]-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[2-[1-[3-[(4-methylphenyl)methylthio]-1-oxopropyl]-4-piperidinyl]-1-imidazolyl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[2-[1-[3-[(4-methylphenyl)methylsulfanyl]propanoyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[2-[1-[3-[(4-methylbenzyl)thio]propanoyl]-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Formula: C27H30N4O2S2 MolecularWeight: 506.6827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCC(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O

Isomeric SMILES

CC1=CC=C(C=C1)CSCCC(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C27H30N4O2S2/c1-20-6-8-21(9-7-20)18-34-17-12-25(32)29-14-10-22(11-15-29)26-28-13-16-30(26)19-31-23-4-2-3-5-24(23)35-27(31)33/h2-9,13,16,22H,10-12,14-15,17-19H2,1H3