5-(4-phenoxybutyl)-1,3-diazinane-2-thione

Systemtic Name: 5-(4-phenoxybutyl)-1,3-diazinane-2-thione Openeye Name: 5-(4-phenoxybutyl)hexahydropyrimidine-2-thione CAS Name: 5-(4-phenoxybutyl)-1,3-diazinane-2-thione IUPAC Name: 5-(4-phenoxybutyl)-1,3-diazinane-2-thione Traditional Name: 5-(4-phenoxybutyl)hexahydropyrimidine-2-thione Formula: C14H20N2OS MolecularWeight: 264.3864

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC(=S)N1)CCCCOC2=CC=CC=C2

Isomeric SMILES

C1C(CNC(=S)N1)CCCCOC2=CC=CC=C2

InChI

InChI=1S/C14H20N2OS/c18-14-15-10-12(11-16-14)6-4-5-9-17-13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H2,15,16,18)