2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-N-benzyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-benzylacetamide Traditional Name: N-benzyl-2-[(4-keto-6-morpholino-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C29H28N4O5S MolecularWeight: 544.62142

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC5=C(C=C4)OCO5)SCC(=O)NCC6=CC=CC=C6

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC5=C(C=C4)OCO5)SCC(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C29H28N4O5S/c34-27(30-16-20-4-2-1-3-5-20)18-39-29-31-24-8-7-22(32-10-12-36-13-11-32)15-23(24)28(35)33(29)17-21-6-9-25-26(14-21)38-19-37-25/h1-9,14-15H,10-13,16-19H2,(H,30,34)