(2R)-2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide Openeye Name: (2R)-2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide CAS Name: (2R)-N-[anilino(oxo)methyl]-2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide Traditional Name: (2R)-2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-(phenylcarbamoyl)propionamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

InChI

InChI=1S/C21H21ClN4O4S/c1-13(18(27)25-20(29)23-15-6-4-3-5-7-15)31-21-24-17-12-14(22)8-9-16(17)19(28)26(21)10-11-30-2/h3-9,12-13H,10-11H2,1-2H3,(H2,23,25,27,29)/t13-/m1/s1