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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-ethylacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-ethyl-N-piperonyl-acetamide Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H22N4O4S/c1-2-30(15-19-9-12-23-24(13-19)35-17-34-23)25(32)16-36-27-29-22-6-4-3-5-21(22)26(33)31(27)20-10-7-18(14-28)8-11-20/h3-13H,2,15-17H2,1H3