(2S)-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: (2S)-2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: (2S)-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: (2S)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: (2S)-2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]-N-(methylcarbamoyl)propionamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-12(18(26)24-20(28)22-2)31-21-23-15-8-6-5-7-14(15)19(27)25(21)13-9-10-16(29-3)17(11-13)30-4/h5-12H,1-4H3,(H2,22,24,26,28)/t12-/m0/s1