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

Systemtic Name: 3-chloranyl-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H10Cl2N4O4S2 MolecularWeight: 469.3217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H10Cl2N4O4S2/c18-10-6-5-8(7-11(10)23(26)27)15(24)21-22-17(28)20-16(25)14-13(19)9-3-1-2-4-12(9)29-14/h1-7H,(H,21,24)(H2,20,22,25,28)