N-(1,3-benzodioxol-5-yl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]propionamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CCCC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CCCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c1-18(25(31)28-20-13-14-23-24(16-20)34-17-33-23)35-27-29-22-12-6-5-11-21(22)26(32)30(27)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-14,16,18H,7,10,15,17H2,1H3,(H,28,31)