ethyl 2-(1-adamantylcarbamothioylamino)-3-phenyl-propanoate

Systemtic Name: ethyl 2-(1-adamantylcarbamothioylamino)-3-phenyl-propanoate Openeye Name: ethyl 2-(1-adamantylcarbamothioylamino)-3-phenyl-propanoate CAS Name: 2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(1-adamantylcarbamothioylamino)-3-phenylpropanoate Traditional Name: 2-(1-adamantylthiocarbamoylamino)-3-phenyl-propionic acid ethyl ester Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O2S/c1-2-26-20(25)19(11-15-6-4-3-5-7-15)23-21(27)24-22-12-16-8-17(13-22)10-18(9-16)14-22/h3-7,16-19H,2,8-14H2,1H3,(H2,23,24,27)