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

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[(2-amino-2-oxoethyl)thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[(2-amino-2-keto-ethyl)thio]phenyl]-4-nitro-benzamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c16-14(19)9-23-13-7-3-11(4-8-13)17-15(20)10-1-5-12(6-2-10)18(21)22/h1-8H,9H2,(H2,16,19)(H,17,20)