2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-3-propan-2-yl-quinazolin-4-one Openeye Name: 3-isopropyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]quinazolin-4-one CAS Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-3-propan-2-ylquinazolin-4-one Traditional Name: 3-isopropyl-2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]quinazolin-4-one Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H22N4O2S/c1-14(2)25-19(26)15-8-3-4-9-16(15)23-21(25)28-13-7-12-24-18-11-6-5-10-17(18)22-20(24)27/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,22,27)