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

Systemtic Name: 2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: 2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-benzyl-2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]propionamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

InChI

InChI=1S/C21H22ClN3O3S/c1-14(19(26)23-13-15-6-4-3-5-7-15)29-21-24-18-12-16(22)8-9-17(18)20(27)25(21)10-11-28-2/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)