4-[3-[(2-aminophenyl)sulfanylcarbamoylamino]propoxy]benzoic acid

Systemtic Name: 4-[3-[(2-aminophenyl)sulfanylcarbamoylamino]propoxy]benzoic acid Openeye Name: 4-[3-[(2-aminophenyl)sulfanylcarbamoylamino]propoxy]benzoic acid CAS Name: 4-[3-[[[[(2-aminophenyl)thio]amino]-oxomethyl]amino]propoxy]benzoic acid IUPAC Name: 4-[3-[(2-aminophenyl)sulfanylcarbamoylamino]propoxy]benzoic acid Traditional Name: 4-[3-[[(2-aminophenyl)thio]carbamoylamino]propoxy]benzoic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)SNC(=O)NCCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N)SNC(=O)NCCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H19N3O4S/c18-14-4-1-2-5-15(14)25-20-17(23)19-10-3-11-24-13-8-6-12(7-9-13)16(21)22/h1-2,4-9H,3,10-11,18H2,(H,21,22)(H2,19,20,23)