N-(2-methoxyphenyl)-4-[2-(2-morpholin-4-ylethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: N-(2-methoxyphenyl)-4-[2-(2-morpholin-4-ylethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: N-(2-methoxyphenyl)-4-[2-(2-morpholinoethylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: N-(2-methoxyphenyl)-4-[[2-[2-(4-morpholinyl)ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: N-(2-methoxyphenyl)-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(2-morpholinoethylamino)ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6S/c1-31-19-5-3-2-4-17(19)24-22(28)16-6-7-20(18(14-16)26(29)30)33-15-21(27)23-8-9-25-10-12-32-13-11-25/h2-7,14H,8-13,15H2,1H3,(H,23,27)(H,24,28)