2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C22H23N5O4S2/c1-2-27-19-8-7-15(33(29,30)26-9-11-31-12-10-26)13-18(19)24-22(27)32-14-20-23-17-6-4-3-5-16(17)21(28)25-20/h3-8,13H,2,9-12,14H2,1H3,(H,23,25,28)