N-(1-adamantyl)-2-quinazolin-4-ylsulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-(4-quinazolinylthio)propanamide IUPAC Name: N-(1-adamantyl)-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-(quinazolin-4-ylthio)propionamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=NC5=CC=CC=C54

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C21H25N3OS/c1-13(26-20-17-4-2-3-5-18(17)22-12-23-20)19(25)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,12-16H,6-11H2,1H3,(H,24,25)