(phenylmethyl) 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamothioylamino]butanoate

Systemtic Name: (phenylmethyl) 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamothioylamino]butanoate Openeye Name: benzyl 4-[3-(tert-butoxycarbonylamino)propylcarbamothioylamino]butanoate CAS Name: 4-[[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propylamino]-sulfanylidenemethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylcarbamothioylamino]butanoate Traditional Name: 4-[3-(tert-butoxycarbonylamino)propylthiocarbamoylamino]butyric acid benzyl ester Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S/c1-20(2,3)27-19(25)23-14-8-13-22-18(28)21-12-7-11-17(24)26-15-16-9-5-4-6-10-16/h4-6,9-10H,7-8,11-15H2,1-3H3,(H,23,25)(H2,21,22,28)