N-(1,3-benzodioxol-5-yl)-3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-1-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)C4=NN=C(S4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)C4=NN=C(S4)CC5=CC=CC=C5

InChI

InChI=1S/C22H22N4O3S/c27-22(23-17-8-9-18-19(12-17)29-14-28-18)26-10-4-7-16(13-26)21-25-24-20(30-21)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16H,4,7,10-11,13-14H2,(H,23,27)