tert-butyl 2-[(4-butylphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(4-butylphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(4-butylphenyl)carbamothioylamino]propanoate CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-butylphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[(4-butylphenyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C22H36N2O3S MolecularWeight: 408.59784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(COC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(COC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H36N2O3S/c1-8-9-10-16-11-13-17(14-12-16)23-20(28)24-18(15-26-21(2,3)4)19(25)27-22(5,6)7/h11-14,18H,8-10,15H2,1-7H3,(H2,23,24,28)