N-(2-azanyl-2-oxidanylidene-ethyl)-3-[2-(4-nitrophenyl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-3-[2-(4-nitrophenyl)sulfanylethanoylamino]benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzamide CAS Name: N-(2-amino-2-oxoethyl)-3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(2-amino-2-oxoethyl)-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzamide Traditional Name: N-(2-amino-2-keto-ethyl)-3-[[2-[(4-nitrophenyl)thio]acetyl]amino]benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c18-15(22)9-19-17(24)11-2-1-3-12(8-11)20-16(23)10-27-14-6-4-13(5-7-14)21(25)26/h1-8H,9-10H2,(H2,18,22)(H,19,24)(H,20,23)