sodium 2-[[4-chloranyl-3,5-bis(ethylcarbamothioylamino)phenyl]amino]propanoate

Systemtic Name: sodium 2-[[4-chloranyl-3,5-bis(ethylcarbamothioylamino)phenyl]amino]propanoate Openeye Name: sodium 2-[4-chloro-3,5-bis(ethylcarbamothioylamino)anilino]propanoate CAS Name: sodium 2-[4-chloro-3,5-bis[[ethylamino(sulfanylidene)methyl]amino]anilino]propanoate IUPAC Name: sodium 2-[4-chloro-3,5-bis(ethylcarbamothioylamino)anilino]propanoate Traditional Name: sodium 2-[4-chloro-3,5-bis(ethylthiocarbamoylamino)anilino]propionate Formula: C15H21ClN5NaO2S2 MolecularWeight: 425.93231

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC(=CC(=C1Cl)NC(=S)NCC)NC(C)C(=O)[O-].[Na+]

Isomeric SMILES

CCNC(=S)NC1=CC(=CC(=C1Cl)NC(=S)NCC)NC(C)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H22ClN5O2S2.Na/c1-4-17-14(24)20-10-6-9(19-8(3)13(22)23)7-11(12(10)16)21-15(25)18-5-2;/h6-8,19H,4-5H2,1-3H3,(H,22,23)(H2,17,20,24)(H2,18,21,25);/q;+1/p-1