2-[(1R)-1-[5-chloranyl-1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[5-chloranyl-1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-(5-chloro-1-isobutyl-benzimidazol-2-yl)sulfanylethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[[5-chloro-1-(2-methylpropyl)-2-benzimidazolyl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[5-chloro-1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[(5-chloro-1-isobutyl-benzimidazol-2-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)Cl)N=C1SC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=C(N3CC(C)C)C=CC(=C4)Cl

InChI

InChI=1S/C21H21ClN4OS/c1-12(2)11-26-18-9-8-14(22)10-17(18)24-21(26)28-13(3)19-23-16-7-5-4-6-15(16)20(27)25-19/h4-10,12-13H,11H2,1-3H3,(H,23,25,27)/t13-/m1/s1