3-(3-phenylsulfanylpropyl)-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one

Systemtic Name: 3-(3-phenylsulfanylpropyl)-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one Openeye Name: 3-(3-phenylsulfanylpropyl)-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one CAS Name: 3-[3-(phenylthio)propyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one IUPAC Name: 3-(3-phenylsulfanylpropyl)-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one Traditional Name: 3-[3-(phenylthio)propyl]-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one Formula: C17H24N2OS MolecularWeight: 304.45026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(CN2)CCCSC3=CC=CC=C3

Isomeric SMILES

C1CCC2C(C1)C(=O)N(CN2)CCCSC3=CC=CC=C3

InChI

InChI=1S/C17H24N2OS/c20-17-15-9-4-5-10-16(15)18-13-19(17)11-6-12-21-14-7-2-1-3-8-14/h1-3,7-8,15-16,18H,4-6,9-13H2