1,3-benzodioxol-5-yl-[3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[3-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-piperidyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-1-piperidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[3-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[3-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidino]methanone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=NN=C(S4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=NN=C(S4)CC5=CC=CC=C5

InChI

InChI=1S/C22H21N3O3S/c26-22(16-8-9-18-19(12-16)28-14-27-18)25-10-4-7-17(13-25)21-24-23-20(29-21)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,17H,4,7,10-11,13-14H2