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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-N-benzyl-N-ethyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-ethyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-benzyl-N-ethylacetamide Traditional Name: N-benzyl-N-ethyl-2-[(4-keto-6-morpholino-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C31H32N4O5S MolecularWeight: 572.67458

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H32N4O5S/c1-2-33(18-22-6-4-3-5-7-22)29(36)20-41-31-32-26-10-9-24(34-12-14-38-15-13-34)17-25(26)30(37)35(31)19-23-8-11-27-28(16-23)40-21-39-27/h3-11,16-17H,2,12-15,18-21H2,1H3