N-[3-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]phenyl]-2-furamide Formula: C20H12ClN3O5S MolecularWeight: 441.84438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H12ClN3O5S/c21-16-13-6-2-7-14(24(27)28)17(13)30-18(16)20(26)23-12-5-1-4-11(10-12)22-19(25)15-8-3-9-29-15/h1-10H,(H,22,25)(H,23,26)