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

Systemtic Name: 2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]quinazolin-4-one CAS Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]quinazolin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H20N4O2S/c1-2-12-25-19(26)15-8-3-4-9-16(15)23-21(25)28-14-7-13-24-18-11-6-5-10-17(18)22-20(24)27/h2-6,8-11H,1,7,12-14H2,(H,22,27)