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

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[phenyl-(phenylmethyl)amino]ethyl]sulfanyl-benzamide Openeye Name: 4-[2-(N-benzylanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(N-(phenylmethyl)anilino)ethyl]thio]benzamide IUPAC Name: 4-[2-(N-benzylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(N-benzylanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c23-22(27)17-11-12-20(19(13-17)25(28)29)30-15-21(26)24(18-9-5-2-6-10-18)14-16-7-3-1-4-8-16/h1-13H,14-15H2,(H2,23,27)