4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(furan-2-ylmethyl)-3-nitro-benzamide

Systemtic Name: 4-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(furan-2-ylmethyl)-3-nitro-benzamide Openeye Name: 4-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-N-(2-furylmethyl)-3-nitro-benzamide CAS Name: 4-[[2-(diethylamino)-2-oxoethyl]thio]-N-(2-furanylmethyl)-3-nitrobenzamide IUPAC Name: 4-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-(furan-2-ylmethyl)-3-nitrobenzamide Traditional Name: 4-[[2-(diethylamino)-2-keto-ethyl]thio]-N-(2-furfuryl)-3-nitro-benzamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CSC1=C(C=C(C=C1)C(=O)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-3-20(4-2)17(22)12-27-16-8-7-13(10-15(16)21(24)25)18(23)19-11-14-6-5-9-26-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,23)