1-(3,5-dimethylpiperidin-1-yl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propan-1-one Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-(3,5-dimethyl-1-piperidyl)propan-1-one CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-propanone IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-1-(3,5-dimethylpiperidino)propan-1-one Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)SC2=NC(=C(N2)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)SC2=NC(=C(N2)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H29N3OS/c1-14-10-15(2)13-24(12-14)20(25)17(4)26-21-22-16(3)19(23-21)11-18-8-6-5-7-9-18/h5-9,14-15,17H,10-13H2,1-4H3,(H,22,23)