N-(3-chloranyl-4-cyano-phenyl)-2-[7-chloranyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[7-chloranyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[7-chloro-3-(2-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[7-chloro-3-(2-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[7-chloro-3-(2-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[[7-chloro-3-(2-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C21H18Cl2N4O3S MolecularWeight: 477.36362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

Isomeric SMILES

CC(CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

InChI

InChI=1S/C21H18Cl2N4O3S/c1-11(28)10-27-20(30)16-6-4-14(22)7-18(16)26-21(27)31-12(2)19(29)25-15-5-3-13(9-24)17(23)8-15/h3-8,11-12,28H,10H2,1-2H3,(H,25,29)