N-[4-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[[[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[[(E)-3-(2-methoxyphenyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]cyclohexanecarboxamide Formula: C25H28N4O4S MolecularWeight: 480.57922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C25H28N4O4S/c1-33-21-10-6-5-7-17(21)13-16-22(30)27-25(34)29-28-24(32)19-11-14-20(15-12-19)26-23(31)18-8-3-2-4-9-18/h5-7,10-16,18H,2-4,8-9H2,1H3,(H,26,31)(H,28,32)(H2,27,29,30,34)/b16-13+