3,5-bis(bromanyl)-2-methoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C16H10Br2N4O4S2 MolecularWeight: 546.213

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br)Br

InChI

InChI=1S/C16H10Br2N4O4S2/c1-26-13-9(4-7(17)5-10(13)18)14(23)20-15(27)21-16-19-11-3-2-8(22(24)25)6-12(11)28-16/h2-6H,1H3,(H2,19,20,21,23,27)