4-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[cyclopropyl(2-furylmethyl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[cyclopropyl(2-furanylmethyl)amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[cyclopropyl(2-furfuryl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CO2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC1N(CC2=CC=CO2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c18-17(22)11-3-6-15(14(8-11)20(23)24)26-10-16(21)19(12-4-5-12)9-13-2-1-7-25-13/h1-3,6-8,12H,4-5,9-10H2,(H2,18,22)