N-(2-methoxyphenyl)-3-nitro-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-benzamide

Systemtic Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-benzamide Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide CAS Name: N-(2-methoxyphenyl)-3-nitro-4-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]benzamide IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[[2-(benzylamino)-2-keto-ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5S/c1-31-20-10-6-5-9-18(20)25-23(28)17-11-12-21(19(13-17)26(29)30)32-15-22(27)24-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,24,27)(H,25,28)