4-(2-carbamimidoylsulfanylethanoylamino)benzoate

Systemtic Name: 4-(2-carbamimidoylsulfanylethanoylamino)benzoate Openeye Name: 4-[(2-carbamimidoylsulfanylacetyl)amino]benzoate CAS Name: 4-[[2-(carbamimidoylthio)-1-oxoethyl]amino]benzoate IUPAC Name: 4-[(2-carbamimidoylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(amidinothio)acetyl]amino]benzoate Formula: C10H10N3O3S- MolecularWeight: 252.2697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC(=N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC(=N)N

InChI

InChI=1S/C10H11N3O3S/c11-10(12)17-5-8(14)13-7-3-1-6(2-4-7)9(15)16/h1-4H,5H2,(H3,11,12)(H,13,14)(H,15,16)/p-1