3,3-dimethyl-1-[3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butan-1-one Openeye Name: 1-[3-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-piperidyl]-3,3-dimethyl-butan-1-one CAS Name: 3,3-dimethyl-1-[3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-1-piperidinyl]-1-butanone IUPAC Name: 1-[3-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[3-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidino]-3,3-dimethyl-butan-1-one Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCCC(C1)C2=NN=C(S2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC(=O)N1CCCC(C1)C2=NN=C(S2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3OS/c1-20(2,3)13-18(24)23-11-7-10-16(14-23)19-22-21-17(25-19)12-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3