3-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methyl-benzoate

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methyl-benzoate Openeye Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methyl-benzoate CAS Name: 3-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-4-methylbenzoate IUPAC Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methylbenzoate Traditional Name: 3-(1,3-benzodioxol-5-ylthiocarbamoylamino)-4-methyl-benzoate Formula: C16H13N2O4S- MolecularWeight: 329.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N2O4S/c1-9-2-3-10(15(19)20)6-12(9)18-16(23)17-11-4-5-13-14(7-11)22-8-21-13/h2-7H,8H2,1H3,(H,19,20)(H2,17,18,23)/p-1