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

Systemtic Name: butyl 4-[2-(1-adamantyl)ethanoylcarbamothioylamino]benzoate Openeye Name: butyl 4-[[2-(1-adamantyl)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-adamantyl)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3S/c1-2-3-8-29-22(28)19-4-6-20(7-5-19)25-23(30)26-21(27)15-24-12-16-9-17(13-24)11-18(10-16)14-24/h4-7,16-18H,2-3,8-15H2,1H3,(H2,25,26,27,30)