ethyl 3-(2-adamantylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(2-adamantylcarbamothioylamino)benzoate Openeye Name: ethyl 3-(2-adamantylcarbamothioylamino)benzoate CAS Name: 3-[[(2-adamantylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-adamantylcarbamothioylamino)benzoate Traditional Name: 3-(2-adamantylthiocarbamoylamino)benzoic acid ethyl ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C20H26N2O2S/c1-2-24-19(23)14-4-3-5-17(11-14)21-20(25)22-18-15-7-12-6-13(9-15)10-16(18)8-12/h3-5,11-13,15-16,18H,2,6-10H2,1H3,(H2,21,22,25)