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

Systemtic Name: (2S)-N-ethyl-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-ethyl-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-ethyl-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-ethyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-ethyl-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCC(C)C

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1CCC(C)C

InChI

InChI=1S/C18H25N3O2S/c1-5-19-16(22)13(4)24-18-20-15-9-7-6-8-14(15)17(23)21(18)11-10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,22)/t13-/m0/s1