N-[(4-nitrophenyl)methyl-[3-(oxidanylamino)-3-oxidanylidene-propyl]carbamothioyl]benzamide

Systemtic Name: N-[(4-nitrophenyl)methyl-[3-(oxidanylamino)-3-oxidanylidene-propyl]carbamothioyl]benzamide Openeye Name: N-[[3-(hydroxyamino)-3-oxo-propyl]-[(4-nitrophenyl)methyl]carbamothioyl]benzamide CAS Name: N-[[[3-(hydroxyamino)-3-oxopropyl]-[(4-nitrophenyl)methyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(hydroxyamino)-3-oxopropyl]-[(4-nitrophenyl)methyl]carbamothioyl]benzamide Traditional Name: N-[[3-(hydroxyamino)-3-keto-propyl]-(4-nitrobenzyl)thiocarbamoyl]benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)NO)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)NO)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c23-16(20-25)10-11-21(12-13-6-8-15(9-7-13)22(26)27)18(28)19-17(24)14-4-2-1-3-5-14/h1-9,25H,10-12H2,(H,20,23)(H,19,24,28)