(2S)-N-(3-ethanoylphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-ethanoylphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(3-acetylphenyl)-2-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(3-acetylphenyl)-2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(3-acetylphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(3-acetylphenyl)-2-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]propionamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

InChI

InChI=1S/C26H30N4O4S/c1-18(31)20-7-5-8-21(17-20)27-24(32)19(2)35-26-28-23-10-4-3-9-22(23)25(33)30(26)12-6-11-29-13-15-34-16-14-29/h3-5,7-10,17,19H,6,11-16H2,1-2H3,(H,27,32)/t19-/m0/s1