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

Systemtic Name: (2S)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)propanamide Openeye Name: (2S)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)propanamide CAS Name: (2S)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(4-methoxyphenyl)propanamide IUPAC Name: (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)propanamide Traditional Name: (2S)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(4-methoxyphenyl)propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-13(19(25)22-14-7-11-16(27-2)12-8-14)28-21-23-18-6-4-3-5-17(18)20(26)24(21)15-9-10-15/h3-8,11-13,15H,9-10H2,1-2H3,(H,22,25)/t13-/m0/s1