3-(ethylcarbamothioylamino)benzenesulfonic acid

Systemtic Name: 3-(ethylcarbamothioylamino)benzenesulfonic acid Openeye Name: 3-(ethylcarbamothioylamino)benzenesulfonic acid CAS Name: 3-[[ethylamino(sulfanylidene)methyl]amino]benzenesulfonic acid IUPAC Name: 3-(ethylcarbamothioylamino)benzenesulfonic acid Traditional Name: 3-(ethylthiocarbamoylamino)besylic acid Formula: C9H12N2O3S2 MolecularWeight: 260.33318

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C9H12N2O3S2/c1-2-10-9(15)11-7-4-3-5-8(6-7)16(12,13)14/h3-6H,2H2,1H3,(H2,10,11,15)(H,12,13,14)