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

Systemtic Name: 4-[[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]methyl]-N-phenyl-benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3S/c1-32-17-7-16-29-25(31)22-10-5-6-11-23(22)28-26(29)33-18-19-12-14-20(15-13-19)24(30)27-21-8-3-2-4-9-21/h2-6,8-15H,7,16-18H2,1H3,(H,27,30)