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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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