(2S)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: (2S)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: (2S)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: (2S)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C22H23N3O3S/c1-13-8-11-19(28-3)18(12-13)23-20(26)14(2)29-22-24-17-7-5-4-6-16(17)21(27)25(22)15-9-10-15/h4-8,11-12,14-15H,9-10H2,1-3H3,(H,23,26)/t14-/m0/s1