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

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]propionamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C21H20N4O3S/c1-14(19(26)23-16-9-7-15(13-22)8-10-16)29-21-24-18-6-4-3-5-17(18)20(27)25(21)11-12-28-2/h3-10,14H,11-12H2,1-2H3,(H,23,26)/t14-/m1/s1