N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C23H19ClN4O5S MolecularWeight: 498.93876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=CC=CC=C3Cl

InChI

InChI=1S/C23H19ClN4O5S/c1-14(33-20-9-5-3-7-18(20)24)21(29)25-15-10-12-16(13-11-15)26-23(34)27-22(30)17-6-2-4-8-19(17)28(31)32/h2-14H,1H3,(H,25,29)(H2,26,27,30,34)