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

Systemtic Name: ethyl 4-[1-(1-adamantyl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[1-(1-adamantyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(1-adamantyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[1-(1-adamantyl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O2S/c1-3-26-20(25)18-4-6-19(7-5-18)24-21(27)23-14(2)22-11-15-8-16(12-22)10-17(9-15)13-22/h4-7,14-17H,3,8-13H2,1-2H3,(H2,23,24,27)