propyl 4-[2-(1-adamantyl)ethanoylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[2-(1-adamantyl)ethanoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[2-(1-adamantyl)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(1-adamantyl)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-2-7-28-21(27)18-3-5-19(6-4-18)24-22(29)25-20(26)14-23-11-15-8-16(12-23)10-17(9-15)13-23/h3-6,15-17H,2,7-14H2,1H3,(H2,24,25,26,29)