methyl 4-[[2-(diethylcarbamothioylsulfanyl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(diethylcarbamothioylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(diethylthiocarbamoylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H22N2O3S2 MolecularWeight: 354.48748

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C16H22N2O3S2/c1-4-18(5-2)16(22)23-11-14(19)17-10-12-6-8-13(9-7-12)15(20)21-3/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)