3-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]-2-methyl-benzoate

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]-2-methyl-benzoate Openeye Name: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]-2-methyl-benzoate CAS Name: 3-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoate IUPAC Name: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]-2-methylbenzoate Traditional Name: 2-methyl-3-(veratroylthiocarbamoylamino)benzoate Formula: C18H17N2O5S- MolecularWeight: 373.40298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-10-12(17(22)23)5-4-6-13(10)19-18(26)20-16(21)11-7-8-14(24-2)15(9-11)25-3/h4-9H,1-3H3,(H,22,23)(H2,19,20,21,26)/p-1