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

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(2S)-2-ethylhexyl]ethanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(2S)-2-ethylhexyl]acetamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-[(2S)-2-ethylhexyl]acetamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-2-ethylhexyl]acetamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-[(2S)-2-ethylhexyl]acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

InChI

InChI=1S/C21H29N3O2S/c1-3-5-8-15(4-2)13-22-19(25)14-27-21-23-18-10-7-6-9-17(18)20(26)24(21)16-11-12-16/h6-7,9-10,15-16H,3-5,8,11-14H2,1-2H3,(H,22,25)/t15-/m0/s1