N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C23H18ClN5O7S MolecularWeight: 543.93632

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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-])[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-])[N+](=O)[O-])OC3=CC=CC=C3Cl

InChI

InChI=1S/C23H18ClN5O7S/c1-13(36-20-5-3-2-4-19(20)24)21(30)25-15-6-8-16(9-7-15)26-23(37)27-22(31)14-10-17(28(32)33)12-18(11-14)29(34)35/h2-13H,1H3,(H,25,30)(H2,26,27,31,37)