2-[[2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanoate Openeye Name: 2-[[2-(p-tolylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetate CAS Name: 2-[[2-[(4-methylphenyl)methylthio]-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetate IUPAC Name: 2-[[2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetate Traditional Name: 2-[[2-[(4-methylbenzyl)thio]-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetate Formula: C18H19N2O2S2- MolecularWeight: 359.48566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)SCC(=O)[O-]

InChI

InChI=1S/C18H20N2O2S2/c1-12-6-8-13(9-7-12)10-24-18-19-15-5-3-2-4-14(15)17(20-18)23-11-16(21)22/h6-9H,2-5,10-11H2,1H3,(H,21,22)/p-1