N,N-diethylethanamine; 2-[(5E)-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxidanylidene-3-phenyl-2-sulfanylidene-imidazolidin-1-yl]ethanoic acid

Systemtic Name: N,N-diethylethanamine; 2-[(5E)-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxidanylidene-3-phenyl-2-sulfanylidene-imidazolidin-1-yl]ethanoic acid Openeye Name: N,N-diethylethanamine; 2-[(5E)-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-thioxo-imidazolidin-1-yl]acetic acid CAS Name: N,N-diethylethanamine; 2-[(5E)-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-sulfanylidene-1-imidazolidinyl]acetic acid IUPAC Name: N,N-diethylethanamine; 2-[(5E)-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid Traditional Name: 2-[(5E)-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-keto-3-phenyl-2-thioxo-imidazolidin-1-yl]acetic acid; triethylamine Formula: C28H34N4O3S2 MolecularWeight: 538.72456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC=C3C(=O)N(C(=S)N3CC(=O)O)C4=CC=CC=C4.CCN(CC)CC

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C=C\3/C(=O)N(C(=S)N3CC(=O)O)C4=CC=CC=C4.CCN(CC)CC

InChI

InChI=1S/C22H19N3O3S2.C6H15N/c1-2-23-16-10-6-7-11-18(16)30-19(23)13-12-17-21(28)25(15-8-4-3-5-9-15)22(29)24(17)14-20(26)27;1-4-7(5-2)6-3/h3-13H,2,14H2,1H3,(H,26,27);4-6H2,1-3H3/b17-12+,19-13-;