N-(2,3-dimethylcyclohexyl)-2-quinazolin-4-ylsulfanyl-propanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-(4-quinazolinylthio)propanamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-(quinazolin-4-ylthio)propionamide Formula: C19H25N3OS MolecularWeight: 343.4863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)SC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C(C)SC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C19H25N3OS/c1-12-7-6-10-16(13(12)2)22-18(23)14(3)24-19-15-8-4-5-9-17(15)20-11-21-19/h4-5,8-9,11-14,16H,6-7,10H2,1-3H3,(H,22,23)