4-[[[2-(methylamino)-1,3-benzothiazol-5-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(methylamino)-1,3-benzothiazol-5-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-(methylamino)-1,3-benzothiazol-5-yl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(methylamino)-1,3-benzothiazol-5-yl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(methylamino)-1,3-benzothiazol-5-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(methylamino)-1,3-benzothiazol-5-yl]amino]methyl]benzoic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(S1)C=CC(=C2)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CNC1=NC2=C(S1)C=CC(=C2)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H15N3O2S/c1-17-16-19-13-8-12(6-7-14(13)22-16)18-9-10-2-4-11(5-3-10)15(20)21/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)