N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H21N5O3S/c26-18(21-15-5-6-16-17(12-15)28-11-10-27-16)14-4-3-9-25(13-14)20-23-22-19(29-20)24-7-1-2-8-24/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,21,26)