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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C17H13BrN4O4S2 MolecularWeight: 481.34352

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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-])Br

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN4O4S2/c1-2-26-13-6-3-9(7-11(13)18)15(23)20-16(27)21-17-19-12-5-4-10(22(24)25)8-14(12)28-17/h3-8H,2H2,1H3,(H2,19,20,21,23,27)