(2S)-2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide

Systemtic Name: (2S)-2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide Openeye Name: (2S)-2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide CAS Name: (2S)-2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-p-phenetyl-propionamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3O3S/c1-3-32-20-14-10-18(11-15-20)27-23(30)16(2)33-25-28-22-7-5-4-6-21(22)24(31)29(25)19-12-8-17(26)9-13-19/h4-16H,3H2,1-2H3,(H,27,30)/t16-/m0/s1