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

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-piperonyl-2-[[2-(2-thienyl)quinazolin-4-yl]thio]propionamide Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C23H19N3O3S2/c1-14(22(27)24-12-15-8-9-18-19(11-15)29-13-28-18)31-23-16-5-2-3-6-17(16)25-21(26-23)20-7-4-10-30-20/h2-11,14H,12-13H2,1H3,(H,24,27)/t14-/m0/s1