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

Systemtic Name: (2S)-N-(3-methylphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-2-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(m-tolyl)propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-2-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]-N-(m-tolyl)propionamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

InChI

InChI=1S/C25H30N4O3S/c1-18-7-5-8-20(17-18)26-23(30)19(2)33-25-27-22-10-4-3-9-21(22)24(31)29(25)12-6-11-28-13-15-32-16-14-28/h3-5,7-10,17,19H,6,11-16H2,1-2H3,(H,26,30)/t19-/m0/s1