(2S)-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propan-2-yl-propanamide

Systemtic Name: (2S)-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propan-2-yl-propanamide Openeye Name: (2S)-N-isopropyl-2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide Traditional Name: (2S)-N-isopropyl-2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N3O3S/c1-13(2)22-19(25)14(3)28-21-23-18-8-6-5-7-17(18)20(26)24(21)15-9-11-16(27-4)12-10-15/h5-14H,1-4H3,(H,22,25)/t14-/m0/s1