4-[(phenylmethyl)carbamothioylamino]benzenesulfonic acid

Systemtic Name: 4-[(phenylmethyl)carbamothioylamino]benzenesulfonic acid Openeye Name: 4-(benzylcarbamothioylamino)benzenesulfonic acid CAS Name: 4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzenesulfonic acid IUPAC Name: 4-(benzylcarbamothioylamino)benzenesulfonic acid Traditional Name: 4-(benzylthiocarbamoylamino)besylic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C14H14N2O3S2/c17-21(18,19)13-8-6-12(7-9-13)16-14(20)15-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16,20)(H,17,18,19)