N-[2-(tert-butylcarbamoyl)-3-chloranyl-1-benzothiophen-7-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[2-(tert-butylcarbamoyl)-3-chloranyl-1-benzothiophen-7-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-(tert-butylcarbamoyl)-3-chloro-benzothiophen-7-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-[(tert-butylamino)-oxomethyl]-3-chloro-1-benzothiophen-7-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(tert-butylcarbamoyl)-3-chloro-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-(tert-butylcarbamoyl)-3-chloro-benzothiophen-7-yl]-5-nitro-2-furamide Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN3O5S/c1-18(2,3)21-17(24)15-13(19)9-5-4-6-10(14(9)28-15)20-16(23)11-7-8-12(27-11)22(25)26/h4-8H,1-3H3,(H,20,23)(H,21,24)