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

Systemtic Name: 4-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[1-(benzofuran-2-yl)ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[1-(2-benzofuranyl)ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[1-(benzofuran-2-yl)ethylamino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-11(16-9-12-4-2-3-5-15(12)27-16)21-18(23)10-28-17-7-6-13(19(20)24)8-14(17)22(25)26/h2-9,11H,10H2,1H3,(H2,20,24)(H,21,23)