sodium [2-(4-butylphenyl)carbothioyl-6-(carboxymethyl)phenyl]azanide

Systemtic Name: sodium [2-(4-butylphenyl)carbothioyl-6-(carboxymethyl)phenyl]azanide Openeye Name: sodium [2-(4-butylbenzenecarbothioyl)-6-(carboxymethyl)phenyl]azanide CAS Name: sodium [2-[(4-butylphenyl)-sulfanylidenemethyl]-6-(carboxymethyl)phenyl]azanide IUPAC Name: sodium [2-(4-butylbenzenecarbothioyl)-6-(carboxymethyl)phenyl]azanide Traditional Name: sodium [2-(4-butylthiobenzoyl)-6-(carboxymethyl)phenyl]azanide Formula: C19H20NNaO2S MolecularWeight: 349.42237

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=S)C2=C(C(=CC=C2)CC(=O)O)[NH-].[Na+]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=S)C2=C(C(=CC=C2)CC(=O)O)[NH-].[Na+]

InChI

InChI=1S/C19H21NO2S.Na/c1-2-3-5-13-8-10-14(11-9-13)19(23)16-7-4-6-15(18(16)20)12-17(21)22;/h4,6-11H,2-3,5,12H2,1H3,(H3,20,21,22,23);/q;+1/p-1