ethyl (2S)-2-(1-adamantylcarbamothioylamino)-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-(1-adamantylcarbamothioylamino)-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(1-adamantylcarbamothioylamino)-2-phenyl-acetate CAS Name: (2S)-2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(1-adamantylcarbamothioylamino)-2-phenylacetate Traditional Name: (2S)-2-(1-adamantylthiocarbamoylamino)-2-phenyl-acetic acid ethyl ester Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O2S/c1-2-25-19(24)18(17-6-4-3-5-7-17)22-20(26)23-21-11-14-8-15(12-21)10-16(9-14)13-21/h3-7,14-16,18H,2,8-13H2,1H3,(H2,22,23,26)/t14?,15?,16?,18-,21?/m0/s1