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

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-2-methylpropanamide Traditional Name: N-[4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]phenyl]-2-methyl-propionamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31N3O2S/c1-14(2)21(28)24-18-3-5-19(6-4-18)25-22(29)26-20(27)13-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17H,7-13H2,1-2H3,(H,24,28)(H2,25,26,27,29)