2-[(2-azanyl-3-sulfanyl-propyl)amino]-N-(phenylmethyl)hexanamide

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propyl)amino]-N-(phenylmethyl)hexanamide Openeye Name: 2-[(2-amino-3-sulfanyl-propyl)amino]-N-benzyl-hexanamide CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-N-(phenylmethyl)hexanamide IUPAC Name: 2-[(2-amino-3-sulfanylpropyl)amino]-N-benzylhexanamide Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-N-benzyl-hexanamide Formula: C16H27N3OS MolecularWeight: 309.47008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1=CC=CC=C1)NCC(CS)N

Isomeric SMILES

CCCCC(C(=O)NCC1=CC=CC=C1)NCC(CS)N

InChI

InChI=1S/C16H27N3OS/c1-2-3-9-15(18-11-14(17)12-21)16(20)19-10-13-7-5-4-6-8-13/h4-8,14-15,18,21H,2-3,9-12,17H2,1H3,(H,19,20)