(2R)-N-cyclopropyl-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cyclopropyl-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-cyclopropyl-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-cyclopropyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-cyclopropyl-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]propionamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)NC4CC4

InChI

InChI=1S/C21H21N3O2S/c1-13-7-3-6-10-18(13)24-20(26)16-8-4-5-9-17(16)23-21(24)27-14(2)19(25)22-15-11-12-15/h3-10,14-15H,11-12H2,1-2H3,(H,22,25)/t14-/m1/s1