(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-[(1R,2S)-2-methylcyclohexyl]propionamide Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C19H25N3O2S/c1-12-8-4-6-10-15(12)20-17(23)13(2)25-19-21-16-11-7-5-9-14(16)18(24)22(19)3/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,20,23)/t12-,13+,15+/m0/s1