(2S)-N-ethyl-2-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-ethyl-2-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-ethyl-2-[[3-(2-ethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-ethyl-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-ethyl-2-[[3-(2-ethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NCC

InChI

InChI=1S/C21H23N3O2S/c1-4-15-10-6-9-13-18(15)24-20(26)16-11-7-8-12-17(16)23-21(24)27-14(3)19(25)22-5-2/h6-14H,4-5H2,1-3H3,(H,22,25)/t14-/m0/s1