3-[8-[4-(3-chlorophenyl)piperazin-1-yl]-8-oxidanylidene-octyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[8-[4-(3-chlorophenyl)piperazin-1-yl]-8-oxidanylidene-octyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[8-[4-(3-chlorophenyl)piperazin-1-yl]-8-oxo-octyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[8-[4-(3-chlorophenyl)-1-piperazinyl]-8-oxooctyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[8-[4-(3-chlorophenyl)piperazin-1-yl]-8-oxooctyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[8-[4-(3-chlorophenyl)piperazino]-8-keto-octyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H31ClN4O2S MolecularWeight: 499.06794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C26H31ClN4O2S/c27-20-9-8-10-21(19-20)29-15-17-30(18-16-29)24(32)13-4-2-1-3-7-14-31-25(33)22-11-5-6-12-23(22)28-26(31)34/h5-6,8-12,19H,1-4,7,13-18H2,(H,28,34)