(phenylmethyl) N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylcarbamothioyl]carbamate

Systemtic Name: (phenylmethyl) N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylcarbamothioyl]carbamate Openeye Name: tert-butyl N-[5-(benzyloxycarbonylcarbamothioylamino)pentyl]carbamate CAS Name: N-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-sulfanylidenemethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylcarbamothioyl]carbamate Traditional Name: N-[5-(tert-butoxycarbonylamino)pentylthiocarbamoyl]carbamic acid benzyl ester Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCNC(=S)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCNC(=S)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H29N3O4S/c1-19(2,3)26-17(23)21-13-9-5-8-12-20-16(27)22-18(24)25-14-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,21,23)(H2,20,22,24,27)