(phenylmethyl) N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylcarbamothioyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylcarbamothioyl]carbamate Openeye Name: tert-butyl N-[4-(benzyloxycarbonylcarbamothioylamino)butyl]carbamate CAS Name: N-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butylamino]-sulfanylidenemethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylcarbamothioyl]carbamate Traditional Name: N-[4-(tert-butoxycarbonylamino)butylthiocarbamoyl]carbamic acid benzyl ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-18(2,3)25-16(22)20-12-8-7-11-19-15(26)21-17(23)24-13-14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3,(H,20,22)(H2,19,21,23,26)