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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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