tert-butyl N-[2-[(phenylmethyl)carbamothioylamino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(phenylmethyl)carbamothioylamino]ethyl]carbamate Openeye Name: tert-butyl N-[2-(benzylcarbamothioylamino)ethyl]carbamate CAS Name: N-[2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(benzylcarbamothioylamino)ethyl]carbamate Traditional Name: N-[2-(benzylthiocarbamoylamino)ethyl]carbamic acid tert-butyl ester Formula: C15H23N3O2S MolecularWeight: 309.42702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C15H23N3O2S/c1-15(2,3)20-14(19)17-10-9-16-13(21)18-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,19)(H2,16,18,21)