4-[2-(4-methoxyphenyl)ethyl]-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione

Systemtic Name: 4-[2-(4-methoxyphenyl)ethyl]-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Openeye Name: 4-[2-(4-methoxyphenyl)ethyl]-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione CAS Name: 4-[2-(4-methoxyphenyl)ethyl]-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione IUPAC Name: 4-[2-(4-methoxyphenyl)ethyl]-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Traditional Name: 4-[2-(4-methoxyphenyl)ethyl]-1,3,5,6,7,8-hexahydropyrimid[4,5-b]azepine-2-thione Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2=C3CCCCN=C3NC(=S)N2

Isomeric SMILES

COC1=CC=C(C=C1)CCC2=C3CCCCN=C3NC(=S)N2

InChI

InChI=1S/C17H21N3OS/c1-21-13-8-5-12(6-9-13)7-10-15-14-4-2-3-11-18-16(14)20-17(22)19-15/h5-6,8-9H,2-4,7,10-11H2,1H3,(H2,18,19,20,22)