4-[2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-(1H-benzimidazol-2-ylmethylthio)-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[2-(1H-benzimidazol-2-ylmethylthio)-4-keto-quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C24H21N5O3S2 MolecularWeight: 491.58524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)CCC5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)CCC5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C24H21N5O3S2/c25-34(31,32)17-11-9-16(10-12-17)13-14-29-23(30)18-5-1-2-6-19(18)28-24(29)33-15-22-26-20-7-3-4-8-21(20)27-22/h1-12H,13-15H2,(H,26,27)(H2,25,31,32)