5-azanyl-3-methylsulfanyl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-3-methylsulfanyl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-3-methylsulfanyl-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(methylthio)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-3-methylsulfanyl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-3-(methylthio)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Formula: C19H28N6OS2 MolecularWeight: 420.59522

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)C(=S)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CSC1=NN(C(=N1)N)C(=S)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C19H28N6OS2/c1-28-18-22-17(20)25(23-18)19(27)21-9-6-12-26-16-8-5-7-15(13-16)14-24-10-3-2-4-11-24/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,21,27)(H2,20,22,23)