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

Systemtic Name: N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]propanamide Openeye Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]propanamide CAS Name: N-[3-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]propanamide Traditional Name: N-[3-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]phenyl]propionamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-2-19(26)23-17-4-3-5-18(9-17)24-21(28)25-20(27)13-22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,2,6-8,10-13H2,1H3,(H,23,26)(H2,24,25,27,28)