2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide

Systemtic Name: 2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide Openeye Name: 2-[3-(2,3-dimethylcyclohexyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide CAS Name: 2-[[3-(2,3-dimethylcyclohexyl)-4-oxo-2-quinazolinyl]thio]-N-ethylpropanamide IUPAC Name: 2-[3-(2,3-dimethylcyclohexyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide Traditional Name: 2-[[3-(2,3-dimethylcyclohexyl)-4-keto-quinazolin-2-yl]thio]-N-ethyl-propionamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3CCCC(C3C)C

Isomeric SMILES

CCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3CCCC(C3C)C

InChI

InChI=1S/C21H29N3O2S/c1-5-22-19(25)15(4)27-21-23-17-11-7-6-10-16(17)20(26)24(21)18-12-8-9-13(2)14(18)3/h6-7,10-11,13-15,18H,5,8-9,12H2,1-4H3,(H,22,25)