2-chloranyl-5-[2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]hydrazinyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]hydrazinyl]benzoic acid Openeye Name: 2-chloro-5-[2-[(4-morpholinosulfonylphenyl)carbamothioyl]hydrazino]benzoic acid CAS Name: 2-chloro-5-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]hydrazo]benzoic acid IUPAC Name: 2-chloro-5-[2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]hydrazinyl]benzoic acid Traditional Name: 2-chloro-5-[N'-[(4-morpholinosulfonylphenyl)thiocarbamoyl]hydrazino]benzoic acid Formula: C18H19ClN4O5S2 MolecularWeight: 470.95026

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NNC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NNC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H19ClN4O5S2/c19-16-6-3-13(11-15(16)17(24)25)21-22-18(29)20-12-1-4-14(5-2-12)30(26,27)23-7-9-28-10-8-23/h1-6,11,21H,7-10H2,(H,24,25)(H2,20,22,29)