3-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-2-methyl-benzoate

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-2-methyl-benzoate Openeye Name: 3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-2-methyl-benzoate CAS Name: 3-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoate IUPAC Name: 3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoate Traditional Name: 3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoate Formula: C21H23N2O4S- MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C21H24N2O4S/c1-13-16(19(25)26)6-5-7-17(13)22-20(28)23-18(24)12-27-15-10-8-14(9-11-15)21(2,3)4/h5-11H,12H2,1-4H3,(H,25,26)(H2,22,23,24,28)/p-1