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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCCCC3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCCCC3

InChI

InChI=1S/C21H29N3O2S/c1-3-15(2)24-20(26)17-12-8-9-13-18(17)23-21(24)27-14-19(25)22-16-10-6-4-5-7-11-16/h8-9,12-13,15-16H,3-7,10-11,14H2,1-2H3,(H,22,25)/t15-/m0/s1