N-[[4-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]phenyl]methyl]ethanamide

Systemtic Name: N-[[4-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]phenyl]methyl]ethanamide Openeye Name: N-[[4-[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]phenyl]methyl]acetamide CAS Name: N-[[4-[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]phenyl]methyl]acetamide Traditional Name: N-[4-[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]benzyl]acetamide Formula: C23H19N3O2S2 MolecularWeight: 433.54586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C23H19N3O2S2/c1-15(27)24-13-16-8-10-17(11-9-16)20(28)14-30-23-18-5-2-3-6-19(18)25-22(26-23)21-7-4-12-29-21/h2-12H,13-14H2,1H3,(H,24,27)