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

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C17H12Cl2N4O4S2 MolecularWeight: 471.33758

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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=CC(=C3Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12Cl2N4O4S2/c1-2-27-11-5-3-8(7-10(11)23(25)26)15(24)21-16(28)22-17-20-14-12(29-17)6-4-9(18)13(14)19/h3-7H,2H2,1H3,(H2,20,21,22,24,28)