N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]-2-methyl-phenyl]benzamide

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]-2-methyl-phenyl]benzamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methyl-phenyl]benzamide CAS Name: N-[4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]benzamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methylphenyl]benzamide Traditional Name: N-[4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-2-methyl-phenyl]benzamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CC=C5

InChI

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