2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

InChI

InChI=1S/C21H29N3O2S/c1-3-9-15(2)22-19(25)14-27-21-23-18-13-8-7-12-17(18)20(26)24(21)16-10-5-4-6-11-16/h7-8,12-13,15-16H,3-6,9-11,14H2,1-2H3,(H,22,25)/t15-/m0/s1