3-[(phenylmethyl)carbamothioylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(phenylmethyl)carbamothioylamino]propane-1-sulfonic acid Openeye Name: 3-(benzylcarbamothioylamino)propane-1-sulfonic acid CAS Name: 3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1-propanesulfonic acid IUPAC Name: 3-(benzylcarbamothioylamino)propane-1-sulfonic acid Traditional Name: 3-(benzylthiocarbamoylamino)propane-1-sulfonic acid Formula: C11H16N2O3S2 MolecularWeight: 288.38634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NCCCS(=O)(=O)O

InChI

InChI=1S/C11H16N2O3S2/c14-18(15,16)8-4-7-12-11(17)13-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,12,13,17)(H,14,15,16)