(2S)-N-(ethylcarbamoyl)-2-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-[[4-keto-3-(m-tolyl)quinazolin-2-yl]thio]propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C

InChI

InChI=1S/C21H22N4O3S/c1-4-22-20(28)24-18(26)14(3)29-21-23-17-11-6-5-10-16(17)19(27)25(21)15-9-7-8-13(2)12-15/h5-12,14H,4H2,1-3H3,(H2,22,24,26,28)/t14-/m0/s1