N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]-2-chloranyl-benzamide

Systemtic Name: N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]-2-chloranyl-benzamide Openeye Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-2-chloro-benzamide CAS Name: N-[3-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-chlorobenzamide IUPAC Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-2-chlorobenzamide Traditional Name: N-[3-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]phenyl]-2-chloro-benzamide Formula: C26H28ClN3O2S MolecularWeight: 482.03742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C26H28ClN3O2S/c27-22-7-2-1-6-21(22)24(32)28-19-4-3-5-20(11-19)29-25(33)30-23(31)15-26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,16-18H,8-10,12-15H2,(H,28,32)(H2,29,30,31,33)