N-[2-azanyl-2-oxidanylidene-1-(phenylmethylsulfanyl)ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-azanyl-2-oxidanylidene-1-(phenylmethylsulfanyl)ethyl]-4-nitro-benzamide Openeye Name: N-(2-amino-1-benzylsulfanyl-2-oxo-ethyl)-4-nitro-benzamide CAS Name: N-[2-amino-2-oxo-1-(phenylmethylthio)ethyl]-4-nitrobenzamide IUPAC Name: N-(2-amino-1-benzylsulfanyl-2-oxoethyl)-4-nitrobenzamide Traditional Name: N-[2-amino-1-(benzylthio)-2-keto-ethyl]-4-nitro-benzamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(C(=O)N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC(C(=O)N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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