N-butyl-2-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butyl-2-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-butyl-2-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC(C3C)C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1[C@H]3CCC[C@H]([C@@H]3C)C

InChI

InChI=1S/C22H31N3O2S/c1-4-5-13-23-20(26)14-28-22-24-18-11-7-6-10-17(18)21(27)25(22)19-12-8-9-15(2)16(19)3/h6-7,10-11,15-16,19H,4-5,8-9,12-14H2,1-3H3,(H,23,26)/t15-,16+,19+/m1/s1