4-ethoxy-3-nitro-N-[(6-oxidanyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[(6-oxidanyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[(6-hydroxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(6-hydroxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C17H14N4O5S2 MolecularWeight: 418.44686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5S2/c1-2-26-13-6-3-9(7-12(13)21(24)25)15(23)19-16(27)20-17-18-11-5-4-10(22)8-14(11)28-17/h3-8,22H,2H2,1H3,(H2,18,19,20,23,27)