tert-butyl N-[5-[(2-aminophenyl)carbamothioylamino]pentyl]carbamate

Systemtic Name: tert-butyl N-[5-[(2-aminophenyl)carbamothioylamino]pentyl]carbamate Openeye Name: tert-butyl N-[5-[(2-aminophenyl)carbamothioylamino]pentyl]carbamate CAS Name: N-[5-[[(2-aminoanilino)-sulfanylidenemethyl]amino]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[(2-aminophenyl)carbamothioylamino]pentyl]carbamate Traditional Name: N-[5-[(2-aminophenyl)thiocarbamoylamino]pentyl]carbamic acid tert-butyl ester Formula: C17H28N4O2S MolecularWeight: 352.49482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCNC(=S)NC1=CC=CC=C1N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCNC(=S)NC1=CC=CC=C1N

InChI

InChI=1S/C17H28N4O2S/c1-17(2,3)23-16(22)20-12-8-4-7-11-19-15(24)21-14-10-6-5-9-13(14)18/h5-6,9-10H,4,7-8,11-12,18H2,1-3H3,(H,20,22)(H2,19,21,24)