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

Systemtic Name: 2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(2S)-octan-2-yl]ethanamide Openeye Name: 2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S)-1-methylheptyl]acetamide CAS Name: 2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-octan-2-yl]acetamide Traditional Name: 2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]-N-[(1S)-1-methylheptyl]acetamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC

InChI

InChI=1S/C20H29N3O2S/c1-4-6-7-8-11-15(3)21-18(24)14-26-20-22-17-13-10-9-12-16(17)19(25)23(20)5-2/h9-10,12-13,15H,4-8,11,14H2,1-3H3,(H,21,24)/t15-/m0/s1