2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[4-(1-adamantyl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[4-(1-adamantyl)piperazino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C24H29N4O2S- MolecularWeight: 437.57766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H30N4O2S/c29-21(15-31-23-25-20-4-2-1-3-19(20)22(30)26-23)27-5-7-28(8-6-27)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-18H,5-15H2,(H,25,26,30)/p-1