N-(2,5-dimethylphenyl)-3-nitro-4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-nitro-4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-benzamide Openeye Name: N-(2,5-dimethylphenyl)-3-nitro-4-[2-oxo-2-(2-thienylmethylamino)ethyl]sulfanyl-benzamide CAS Name: N-(2,5-dimethylphenyl)-3-nitro-4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thio]benzamide IUPAC Name: N-(2,5-dimethylphenyl)-3-nitro-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzamide Traditional Name: N-(2,5-dimethylphenyl)-4-[[2-keto-2-(2-thenylamino)ethyl]thio]-3-nitro-benzamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4S2/c1-14-5-6-15(2)18(10-14)24-22(27)16-7-8-20(19(11-16)25(28)29)31-13-21(26)23-12-17-4-3-9-30-17/h3-11H,12-13H2,1-2H3,(H,23,26)(H,24,27)