2-[2-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[(5-chloro-1-propyl-2-benzimidazolyl)thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[(5-chloro-1-propyl-benzimidazol-2-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C21H20ClN5O2S/c1-2-9-26-17-8-7-13(22)10-16(17)25-21(26)30-12-19-24-15-6-4-3-5-14(15)20(29)27(19)11-18(23)28/h3-8,10H,2,9,11-12H2,1H3,(H2,23,28)