(2R)-N-(1,3-benzodioxol-5-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]propionamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C22H17N3O3S2/c1-13(21(26)23-14-8-9-17-18(11-14)28-12-27-17)30-22-15-5-2-3-6-16(15)24-20(25-22)19-7-4-10-29-19/h2-11,13H,12H2,1H3,(H,23,26)/t13-/m1/s1