ethyl 4-[1-(1-adamantyl)butylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[1-(1-adamantyl)butylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[1-(1-adamantyl)butylcarbamothioylamino]benzoate CAS Name: 4-[[[1-(1-adamantyl)butylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(1-adamantyl)butylcarbamothioylamino]benzoate Traditional Name: 4-[1-(1-adamantyl)butylthiocarbamoylamino]benzoic acid ethyl ester Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C24H34N2O2S/c1-3-5-21(24-13-16-10-17(14-24)12-18(11-16)15-24)26-23(29)25-20-8-6-19(7-9-20)22(27)28-4-2/h6-9,16-18,21H,3-5,10-15H2,1-2H3,(H2,25,26,29)