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

Systemtic Name: 7-chloranyl-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 7-chloro-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 7-chloro-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-3-propyl-4-quinazolinone IUPAC Name: 7-chloro-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 7-chloro-2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-3-propyl-quinazolin-4-one Formula: C21H21ClN4O2S MolecularWeight: 428.93504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H21ClN4O2S/c1-2-10-26-19(27)15-9-8-14(22)13-17(15)24-21(26)29-12-5-11-25-18-7-4-3-6-16(18)23-20(25)28/h3-4,6-9,13H,2,5,10-12H2,1H3,(H,23,28)