N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C20H28N4O6S MolecularWeight: 452.52452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2

InChI

InChI=1S/C20H28N4O6S/c1-28-14-9-13(10-15(29-2)17(14)30-3)19(27)22-20(31)24-23-16(25)11-21-18(26)12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,21,26)(H,23,25)(H2,22,24,27,31)