(2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-propanamide

Systemtic Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-propanamide Openeye Name: (2R)-N-cyclohexyl-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-cyclohexylpropanamide IUPAC Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide Traditional Name: (2R)-N-cyclohexyl-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]propionamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3CCCCC3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H29N3O2S/c1-4-14(2)24-20(26)17-12-8-9-13-18(17)23-21(24)27-15(3)19(25)22-16-10-6-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,22,25)/t14-,15+/m0/s1