N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-12(2)16-8-7-13(3)9-17(16)29-11-18(25)22-23-20(30)21-19(26)14-5-4-6-15(10-14)24(27)28/h4-10,12H,11H2,1-3H3,(H,22,25)(H2,21,23,26,30)