N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(quinazolin-4-ylthio)acetamide Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C18H23N3OS/c1-12-6-5-9-15(13(12)2)21-17(22)10-23-18-14-7-3-4-8-16(14)19-11-20-18/h3-4,7-8,11-13,15H,5-6,9-10H2,1-2H3,(H,21,22)/t12-,13-,15-/m1/s1