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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Cl)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C20H18ClN3O2S/c1-12(18(25)22-14-6-4-5-13(21)11-14)27-20-23-17-8-3-2-7-16(17)19(26)24(20)15-9-10-15/h2-8,11-12,15H,9-10H2,1H3,(H,22,25)/t12-/m1/s1