[4-(diethylcarbamothioylsulfanyl)-1,1-bis(oxidanylidene)thiolan-3-yl] benzoate

Systemtic Name: [4-(diethylcarbamothioylsulfanyl)-1,1-bis(oxidanylidene)thiolan-3-yl] benzoate Openeye Name: [4-(diethylcarbamothioylsulfanyl)-1,1-dioxo-thiolan-3-yl] benzoate CAS Name: benzoic acid [4-[[diethylamino(sulfanylidene)methyl]thio]-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [4-(diethylcarbamothioylsulfanyl)-1,1-dioxothiolan-3-yl] benzoate Traditional Name: benzoic acid [4-(diethylthiocarbamoylthio)-1,1-diketo-thiolan-3-yl] ester Formula: C16H21NO4S3 MolecularWeight: 387.53724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1CS(=O)(=O)CC1OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=S)SC1CS(=O)(=O)CC1OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21NO4S3/c1-3-17(4-2)16(22)23-14-11-24(19,20)10-13(14)21-15(18)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3