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

Systemtic Name: N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[3-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: N-[3-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]phenyl]-2-methyl-benzamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31N3O2S/c1-17-5-2-3-8-23(17)25(32)28-21-6-4-7-22(12-21)29-26(33)30-24(31)16-27-13-18-9-19(14-27)11-20(10-18)15-27/h2-8,12,18-20H,9-11,13-16H2,1H3,(H,28,32)(H2,29,30,31,33)