N-(1-adamantylcarbamoyl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-benzylsulfanyl-propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(phenylmethylthio)propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-benzylsulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(benzylthio)propionamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SCC4=CC=CC=C4

InChI

InChI=1S/C21H28N2O2S/c1-14(26-13-15-5-3-2-4-6-15)19(24)22-20(25)23-21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,14,16-18H,7-13H2,1H3,(H2,22,23,24,25)