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

Systemtic Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cycloheptyl-propanamide Openeye Name: (2R)-N-cycloheptyl-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-cycloheptylpropanamide IUPAC Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cycloheptylpropanamide Traditional Name: (2R)-N-cycloheptyl-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]propionamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3CCCCCC3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3CCCCCC3

InChI

InChI=1S/C22H31N3O2S/c1-4-15(2)25-21(27)18-13-9-10-14-19(18)24-22(25)28-16(3)20(26)23-17-11-7-5-6-8-12-17/h9-10,13-17H,4-8,11-12H2,1-3H3,(H,23,26)/t15-,16+/m0/s1