N-cyclohexyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-cyclohexyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-cyclohexyl-4-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-cyclohexyl-4-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-cyclohexyl-4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H23N3O2S2/c25-19(13-12-18-7-4-14-28-18)24-21(27)23-17-10-8-15(9-11-17)20(26)22-16-5-2-1-3-6-16/h4,7-14,16H,1-3,5-6H2,(H,22,26)(H2,23,24,25,27)/b13-12+