N-[2-[2-(2-isothiocyanatoethylamino)ethylamino]ethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanamide

Systemtic Name: N-[2-[2-(2-isothiocyanatoethylamino)ethylamino]ethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanamide Openeye Name: N-[2-[2-(2-isothiocyanatoethylamino)ethylamino]ethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanamide CAS Name: N-[2-[2-(2-isothiocyanatoethylamino)ethylamino]ethyl]-2-[(4-methoxyphenyl)methylthio]-2-methylpropanamide IUPAC Name: N-[2-[2-(2-isothiocyanatoethylamino)ethylamino]ethyl]-2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropanamide Traditional Name: N-[2-[2-(2-isothiocyanatoethylamino)ethylamino]ethyl]-2-methyl-2-(p-anisylthio)propionamide Formula: C19H30N4O2S2 MolecularWeight: 410.5971

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCNCCNCCN=C=S)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)(C(=O)NCCNCCNCCN=C=S)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C19H30N4O2S2/c1-19(2,27-14-16-4-6-17(25-3)7-5-16)18(24)23-13-12-21-9-8-20-10-11-22-15-26/h4-7,20-21H,8-14H2,1-3H3,(H,23,24)