N-(1,3-benzodioxol-5-yl)-1-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]isonipecotamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)CN2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C=NN(C1=S)CN2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H23N5O3S/c1-2-22-10-19-23(18(22)27)11-21-7-5-13(6-8-21)17(24)20-14-3-4-15-16(9-14)26-12-25-15/h3-4,9-10,13H,2,5-8,11-12H2,1H3,(H,20,24)