(2S)-N-(2-chlorophenyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2-chlorophenyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(2-chlorophenyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(2-chlorophenyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(2-chlorophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(2-chlorophenyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1Cl)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C20H18ClN3O2S/c1-12(18(25)22-17-9-5-3-7-15(17)21)27-20-23-16-8-4-2-6-14(16)19(26)24(20)13-10-11-13/h2-9,12-13H,10-11H2,1H3,(H,22,25)/t12-/m0/s1