2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-[2-(phenylmethyl)phenyl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-benzylphenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C26H25N3O3S/c30-16-8-15-29-25(32)21-12-5-7-14-23(21)28-26(29)33-18-24(31)27-22-13-6-4-11-20(22)17-19-9-2-1-3-10-19/h1-7,9-14,30H,8,15-18H2,(H,27,31)