N-[(2S)-2-ethylhexyl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2S)-2-ethylhexyl]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(2S)-2-ethylhexyl]-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(2S)-2-ethylhexyl]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(2S)-2-ethylhexyl]-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC

InChI

InChI=1S/C20H29N3O2S/c1-4-7-10-15(5-2)13-21-18(24)14-26-20-22-17-12-9-8-11-16(17)19(25)23(20)6-3/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3,(H,21,24)/t15-/m0/s1