N-pentan-2-yl-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-pentan-2-yl-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(1-methylbutyl)propanamide CAS Name: N-pentan-2-yl-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-pentan-2-ylpropanamide Traditional Name: 3-(benzylthio)-N-(1-methylbutyl)propionamide Formula: C15H23NOS MolecularWeight: 265.41422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CCSCC1=CC=CC=C1

Isomeric SMILES

CCCC(C)NC(=O)CCSCC1=CC=CC=C1

InChI

InChI=1S/C15H23NOS/c1-3-7-13(2)16-15(17)10-11-18-12-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,16,17)