N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]phenyl]-3-methyl-benzamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31N3O2S/c1-17-3-2-4-21(9-17)25(32)28-22-5-7-23(8-6-22)29-26(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,28,32)(H2,29,30,31,33)