3-chloranyl-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C18H12Cl2N4O5S2 MolecularWeight: 499.34768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H12Cl2N4O5S2/c1-29-9-3-4-10-13(7-9)31-15(14(10)20)17(26)21-18(30)23-22-16(25)8-2-5-11(19)12(6-8)24(27)28/h2-7H,1H3,(H,22,25)(H2,21,23,26,30)