N-(2-methoxyphenyl)-3-nitro-4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-benzamide Openeye Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxo-2-(2-thienylmethylamino)ethyl]sulfanyl-benzamide CAS Name: N-(2-methoxyphenyl)-3-nitro-4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thio]benzamide IUPAC Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(2-thenylamino)ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S2/c1-29-18-7-3-2-6-16(18)23-21(26)14-8-9-19(17(11-14)24(27)28)31-13-20(25)22-12-15-5-4-10-30-15/h2-11H,12-13H2,1H3,(H,22,25)(H,23,26)