3-(ethylcarbamothioylamino)-4-methyl-benzoate

Systemtic Name: 3-(ethylcarbamothioylamino)-4-methyl-benzoate Openeye Name: 3-(ethylcarbamothioylamino)-4-methyl-benzoate CAS Name: 3-[[ethylamino(sulfanylidene)methyl]amino]-4-methylbenzoate IUPAC Name: 3-(ethylcarbamothioylamino)-4-methylbenzoate Traditional Name: 3-(ethylthiocarbamoylamino)-4-methyl-benzoate Formula: C11H13N2O2S- MolecularWeight: 237.29812

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C=CC(=C1)C(=O)[O-])C

Isomeric SMILES

CCNC(=S)NC1=C(C=CC(=C1)C(=O)[O-])C

InChI

InChI=1S/C11H14N2O2S/c1-3-12-11(16)13-9-6-8(10(14)15)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,14,15)(H2,12,13,16)/p-1