4-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]benzoate

Systemtic Name: 4-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]benzoate Openeye Name: 4-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(diethylthiocarbamoylthio)acetyl]amino]benzoate Formula: C14H17N2O3S2- MolecularWeight: 325.42638

Click to see the large picture

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)/p-1