tert-butyl 2-[(4-methylphenyl)carbonylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(4-methylphenyl)carbonylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(4-methylbenzoyl)carbamothioylamino]propanoate CAS Name: 2-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-methylbenzoyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-(p-toluoylthiocarbamoylamino)propionic acid tert-butyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC(COC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC(COC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O4S/c1-13-8-10-14(11-9-13)16(23)22-18(27)21-15(12-25-19(2,3)4)17(24)26-20(5,6)7/h8-11,15H,12H2,1-7H3,(H2,21,22,23,27)