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

Systemtic Name: (2S)-N-methyl-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: (2S)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-N-phenyl-propanamide CAS Name: (2S)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-methyl-N-phenylpropanamide IUPAC Name: (2S)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide Traditional Name: (2S)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-methyl-N-phenyl-propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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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)N2CCCO

Isomeric SMILES

C[C@@H](C(=O)N(C)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H23N3O3S/c1-15(19(26)23(2)16-9-4-3-5-10-16)28-21-22-18-12-7-6-11-17(18)20(27)24(21)13-8-14-25/h3-7,9-12,15,25H,8,13-14H2,1-2H3/t15-/m0/s1