5-azanyl-3-morpholin-3-yl-N-[3-[3-(piperazin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-3-morpholin-3-yl-N-[3-[3-(piperazin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-3-morpholin-3-yl-N-[3-[3-(piperazin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(3-morpholinyl)-N-[3-[3-(1-piperazinylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-3-morpholin-3-yl-N-[3-[3-(piperazin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-3-morpholin-3-yl-N-[3-[3-(piperazinomethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide Formula: C21H32N8O2S MolecularWeight: 460.59618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC(=CC=C2)OCCCNC(=S)N3C(=NC(=N3)C4COCCN4)N

Isomeric SMILES

C1CN(CCN1)CC2=CC(=CC=C2)OCCCNC(=S)N3C(=NC(=N3)C4COCCN4)N

InChI

InChI=1S/C21H32N8O2S/c22-20-26-19(18-15-30-12-8-24-18)27-29(20)21(32)25-5-2-11-31-17-4-1-3-16(13-17)14-28-9-6-23-7-10-28/h1,3-4,13,18,23-24H,2,5-12,14-15H2,(H,25,32)(H2,22,26,27)