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

Systemtic Name: 4-chloranyl-N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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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(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O5S/c1-11(2)14-6-4-12(3)8-17(14)30-10-18(26)23-24-20(31)22-19(27)13-5-7-15(21)16(9-13)25(28)29/h4-9,11H,10H2,1-3H3,(H,23,26)(H2,22,24,27,31)