N-[1-(4-isothiocyanatophenyl)ethyl]-5,5,5-tris(methylamino)pentanamide

Systemtic Name: N-[1-(4-isothiocyanatophenyl)ethyl]-5,5,5-tris(methylamino)pentanamide Openeye Name: N-[1-(4-isothiocyanatophenyl)ethyl]-5,5,5-tris(methylamino)pentanamide CAS Name: N-[1-(4-isothiocyanatophenyl)ethyl]-5,5,5-tris(methylamino)pentanamide IUPAC Name: N-[1-(4-isothiocyanatophenyl)ethyl]-5,5,5-tris(methylamino)pentanamide Traditional Name: N-[1-(4-isothiocyanatophenyl)ethyl]-5,5,5-tris(methylamino)valeramide Formula: C17H27N5OS MolecularWeight: 349.49418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N=C=S)NC(=O)CCCC(NC)(NC)NC

Isomeric SMILES

CC(C1=CC=C(C=C1)N=C=S)NC(=O)CCCC(NC)(NC)NC

InChI

InChI=1S/C17H27N5OS/c1-13(14-7-9-15(10-8-14)21-12-24)22-16(23)6-5-11-17(18-2,19-3)20-4/h7-10,13,18-20H,5-6,11H2,1-4H3,(H,22,23)