4-(prop-2-enylcarbamothioylamino)benzenesulfonic acid

Systemtic Name: 4-(prop-2-enylcarbamothioylamino)benzenesulfonic acid Openeye Name: 4-(allylcarbamothioylamino)benzenesulfonic acid CAS Name: 4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]benzenesulfonic acid IUPAC Name: 4-(prop-2-enylcarbamothioylamino)benzenesulfonic acid Traditional Name: 4-(allylthiocarbamoylamino)besylic acid Formula: C10H12N2O3S2 MolecularWeight: 272.34388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O3S2/c1-2-7-11-10(16)12-8-3-5-9(6-4-8)17(13,14)15/h2-6H,1,7H2,(H2,11,12,16)(H,13,14,15)