tert-butyl 2-[(diphenylmethyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(diphenylmethyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 2-(benzhydrylcarbamothioylamino)-3-tert-butoxy-propanoate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzhydrylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 2-(benzhydrylthiocarbamoylamino)-3-tert-butoxy-propionic acid tert-butyl ester Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C25H34N2O3S/c1-24(2,3)29-17-20(22(28)30-25(4,5)6)26-23(31)27-21(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-21H,17H2,1-6H3,(H2,26,27,31)