ethyl 4-[2-(1-adamantyloxy)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(1-adamantyloxy)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(1-adamantyloxy)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(1-adamantyloxy)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-adamantyloxy)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(1-adamantyloxy)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCOC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCOC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O3S/c1-2-26-20(25)18-3-5-19(6-4-18)24-21(28)23-7-8-27-22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H2,23,24,28)