1-oxidanylidene-N4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-N3-prop-2-ynyl-1,2,5-thiadiazole-3,4-diamine

Systemtic Name: 1-oxidanylidene-N4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-N3-prop-2-ynyl-1,2,5-thiadiazole-3,4-diamine Openeye Name: 1-oxo-N4-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-N3-prop-2-ynyl-1,2,5-thiadiazole-3,4-diamine CAS Name: 1-oxo-N4-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-N3-prop-2-ynyl-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 1-oxo-4-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-N-prop-2-ynyl-1,2,5-thiadiazole-3,4-diamine Traditional Name: [1-keto-4-[3-[3-(piperidinomethyl)phenoxy]propylamino]-1,2,5-thiadiazol-3-yl]-propargyl-amine Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NS(=O)N=C1NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

C#CCNC1=NS(=O)N=C1NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C20H27N5O2S/c1-2-10-21-19-20(24-28(26)23-19)22-11-7-14-27-18-9-6-8-17(15-18)16-25-12-4-3-5-13-25/h1,6,8-9,15H,3-5,7,10-14,16H2,(H,21,23)(H,22,24)