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

Systemtic Name: 3-chloranyl-6-methoxy-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H13ClN4O5S2 MolecularWeight: 464.90262

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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(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O5S2/c1-28-11-5-6-12-13(8-11)30-15(14(12)19)17(25)20-18(29)22-21-16(24)9-3-2-4-10(7-9)23(26)27/h2-8H,1H3,(H,21,24)(H2,20,22,25,29)