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

Systemtic Name: 3-chloranyl-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(4-nitrobenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H11ClN4O4S2 MolecularWeight: 434.87664

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN4O4S2/c18-13-11-3-1-2-4-12(11)28-14(13)16(24)19-17(27)21-20-15(23)9-5-7-10(8-6-9)22(25)26/h1-8H,(H,20,23)(H2,19,21,24,27)