4-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(diethylthiocarbamoylthio)acetyl]amino]benzoic acid Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H18N2O3S2/c1-3-16(4-2)14(20)21-9-12(17)15-11-7-5-10(6-8-11)13(18)19/h5-8H,3-4,9H2,1-2H3,(H,15,17)(H,18,19)