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

Systemtic Name: 4-[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioyl]hydrazinyl]benzoic acid Openeye Name: 4-[2-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamothioyl]hydrazino]benzoic acid CAS Name: 4-[[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]hydrazo]benzoic acid IUPAC Name: 4-[2-[(2-chloro-5-morpholin-4-ylsulfonylphenyl)carbamothioyl]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[(2-chloro-5-morpholinosulfonyl-phenyl)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)Cl)NC(=S)NNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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