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

Systemtic Name: 3-(2-methoxyethyl)-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-methoxyethyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]quinazolin-4-one CAS Name: 3-(2-methoxyethyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-4-quinazolinone IUPAC Name: 3-(2-methoxyethyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H22N4O3S/c1-28-13-12-25-19(26)15-7-2-3-8-16(15)23-21(25)29-14-6-11-24-18-10-5-4-9-17(18)22-20(24)27/h2-5,7-10H,6,11-14H2,1H3,(H,22,27)