2-[6-morpholin-4-yl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[6-morpholin-4-yl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(3-benzyl-6-morpholino-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[[6-(4-morpholinyl)-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(3-benzyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(3-benzyl-4-keto-6-morpholino-quinazolin-2-yl)thio]acetamide Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3S/c33-26(29-18-21-7-3-1-4-8-21)20-36-28-30-25-12-11-23(31-13-15-35-16-14-31)17-24(25)27(34)32(28)19-22-9-5-2-6-10-22/h1-12,17H,13-16,18-20H2,(H,29,33)