4-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]methyl]-N-phenyl-benzamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3S/c31-25(28-21-7-2-1-3-8-21)20-14-12-19(13-15-20)18-34-27-29-24-11-5-4-10-23(24)26(32)30(27)17-22-9-6-16-33-22/h1-5,7-8,10-15,22H,6,9,16-18H2,(H,28,31)