N-(1,3-benzothiazol-2-ylcarbamothioyl)-4-methoxy-3-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-4-methoxy-3-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-4-methoxy-3-nitro-benzamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-4-methoxy-3-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-4-methoxy-3-nitro-benzamide Formula: C16H12N4O4S2 MolecularWeight: 388.42088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4S2/c1-24-12-7-6-9(8-11(12)20(22)23)14(21)18-15(25)19-16-17-10-4-2-3-5-13(10)26-16/h2-8H,1H3,(H2,17,18,19,21,25)