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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[[4-(methylamino)-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[[4-(methylamino)quinazolin-2-yl]thio]propionamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC

InChI

InChI=1S/C19H18N4O3S/c1-11(18(24)21-12-7-8-15-16(9-12)26-10-25-15)27-19-22-14-6-4-3-5-13(14)17(20-2)23-19/h3-9,11H,10H2,1-2H3,(H,21,24)(H,20,22,23)/t11-/m1/s1