N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-nitro-2-furamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C17H21N3O4S/c21-17(15-5-6-16(24-15)20(22)23)18-11-14(13-7-10-25-12-13)19-8-3-1-2-4-9-19/h5-7,10,12,14H,1-4,8-9,11H2,(H,18,21)