4-[2-[1-(1-benzofuran-2-yl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[1-(1-benzofuran-2-yl)ethyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[1-(benzofuran-2-yl)ethyl-methyl-amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[1-(2-benzofuranyl)ethyl-methylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[1-(benzofuran-2-yl)ethyl-methyl-amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)N(C)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=CC=CC=C2O1)N(C)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-12(17-10-13-5-3-4-6-16(13)28-17)22(2)19(24)11-29-18-8-7-14(20(21)25)9-15(18)23(26)27/h3-10,12H,11H2,1-2H3,(H2,21,25)