(2S)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide

Systemtic Name: (2S)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide Openeye Name: (2S)-2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-ethyl-propanamide CAS Name: (2S)-2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide Traditional Name: (2S)-2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-ethyl-propionamide Formula: C18H24ClN3O2S MolecularWeight: 381.92006

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC(C)C

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC(C)C

InChI

InChI=1S/C18H24ClN3O2S/c1-5-20-16(23)12(4)25-18-21-15-10-13(19)6-7-14(15)17(24)22(18)9-8-11(2)3/h6-7,10-12H,5,8-9H2,1-4H3,(H,20,23)/t12-/m0/s1