4-[[(Z)-(4-carboxyphenyl)methylideneamino]carbamothioyliminomethyl]benzoic acid

Systemtic Name: 4-[[(Z)-(4-carboxyphenyl)methylideneamino]carbamothioyliminomethyl]benzoic acid Openeye Name: 4-[[(Z)-(4-carboxyphenyl)methyleneamino]carbamothioyliminomethyl]benzoic acid CAS Name: 4-[[[(2Z)-2-[(4-carboxyphenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]iminomethyl]benzoic acid IUPAC Name: 4-[[(Z)-(4-carboxyphenyl)methylideneamino]carbamothioyliminomethyl]benzoic acid Traditional Name: 4-[[(Z)-(4-carboxybenzylidene)amino]thiocarbamoyliminomethyl]benzoic acid Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NC(=S)NN=CC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C=NC(=S)N/N=C\C2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H13N3O4S/c21-15(22)13-5-1-11(2-6-13)9-18-17(25)20-19-10-12-3-7-14(8-4-12)16(23)24/h1-10H,(H,20,25)(H,21,22)(H,23,24)/b18-9?,19-10-