4-chloranyl-3-nitro-N-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-chloro-N-[[[2-(2-isopropylphenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-chloro-N-[[[2-(2-isopropylphenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C19H19ClN4O5S MolecularWeight: 450.89596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O5S/c1-11(2)13-5-3-4-6-16(13)29-10-17(25)22-23-19(30)21-18(26)12-7-8-14(20)15(9-12)24(27)28/h3-9,11H,10H2,1-2H3,(H,22,25)(H2,21,23,26,30)