4-[[(Z)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]benzoic acid

Systemtic Name: 4-[[(Z)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]benzoic acid Openeye Name: 4-[[(Z)-N'-(4-phenylthiazol-2-yl)carbamimidoyl]amino]benzoic acid CAS Name: 4-[[(Z)-amino-[(4-phenyl-2-thiazolyl)imino]methyl]amino]benzoic acid IUPAC Name: 4-[[(Z)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]benzoic acid Traditional Name: 4-[[(Z)-N'-(4-phenylthiazol-2-yl)amidino]amino]benzoic acid Formula: C17H14N4O2S MolecularWeight: 338.38366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)N=C(N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)/N=C(/N)\NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N4O2S/c18-16(19-13-8-6-12(7-9-13)15(22)23)21-17-20-14(10-24-17)11-4-2-1-3-5-11/h1-10H,(H,22,23)(H3,18,19,20,21)