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

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-benzamide Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]benzamide IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(benzylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c17-16(21)12-6-7-14(13(8-12)19(22)23)24-10-15(20)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,17,21)(H,18,20)