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

Systemtic Name: 4-ethoxy-3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C17H13N5O6S2 MolecularWeight: 447.44502

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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)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O6S2/c1-2-28-13-6-3-9(7-12(13)22(26)27)15(23)19-16(29)20-17-18-11-5-4-10(21(24)25)8-14(11)30-17/h3-8H,2H2,1H3,(H2,18,19,20,23,29)