N-(1-adamantyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(1-adamantyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: N-(1-adamantyl)-3-benzylsulfanyl-propanamide CAS Name: N-(1-adamantyl)-3-(phenylmethylthio)propanamide IUPAC Name: N-(1-adamantyl)-3-benzylsulfanylpropanamide Traditional Name: N-(1-adamantyl)-3-(benzylthio)propionamide Formula: C20H27NOS MolecularWeight: 329.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CCSCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCSCC4=CC=CC=C4

InChI

InChI=1S/C20H27NOS/c22-19(6-7-23-14-15-4-2-1-3-5-15)21-20-11-16-8-17(12-20)10-18(9-16)13-20/h1-5,16-18H,6-14H2,(H,21,22)