4-[[4-[2,5-bis(azanyl)phenyl]thiophen-2-yl]methylamino]benzoic acid

Systemtic Name: 4-[[4-[2,5-bis(azanyl)phenyl]thiophen-2-yl]methylamino]benzoic acid Openeye Name: 4-[[4-(2,5-diaminophenyl)-2-thienyl]methylamino]benzoic acid CAS Name: 4-[[4-(2,5-diaminophenyl)-2-thiophenyl]methylamino]benzoic acid IUPAC Name: 4-[[4-(2,5-diaminophenyl)thiophen-2-yl]methylamino]benzoic acid Traditional Name: 4-[[4-(2,5-diaminophenyl)-2-thienyl]methylamino]benzoic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=CC(=CS2)C3=C(C=CC(=C3)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=CC(=CS2)C3=C(C=CC(=C3)N)N

InChI

InChI=1S/C18H17N3O2S/c19-13-3-6-17(20)16(8-13)12-7-15(24-10-12)9-21-14-4-1-11(2-5-14)18(22)23/h1-8,10,21H,9,19-20H2,(H,22,23)