(phenylmethyl) N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamothioylamino]propyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamothioylamino]propyl]carbamate Openeye Name: tert-butyl N-[2-[3-(benzyloxycarbonylamino)propylcarbamothioylamino]ethyl]carbamate CAS Name: N-[3-[[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-sulfanylidenemethyl]amino]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamothioylamino]propyl]carbamate Traditional Name: N-[2-[3-(benzyloxycarbonylamino)propylthiocarbamoylamino]ethyl]carbamic acid tert-butyl ester Formula: C19H30N4O4S MolecularWeight: 410.5309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(=S)NCCCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(=S)NCCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H30N4O4S/c1-19(2,3)27-18(25)23-13-12-21-16(28)20-10-7-11-22-17(24)26-14-15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3,(H,22,24)(H,23,25)(H2,20,21,28)