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

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-4-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=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3Cl

Isomeric SMILES

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

InChI

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