N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(5-chloropiazthiol-4-yl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C16H12ClN5O4S2 MolecularWeight: 437.88058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN5O4S2/c1-2-26-12-6-3-8(7-11(12)22(24)25)15(23)19-16(27)18-13-9(17)4-5-10-14(13)21-28-20-10/h3-7H,2H2,1H3,(H2,18,19,23,27)