methyl 2-(1-adamantylcarbamothioylamino)-2-phenyl-ethanoate

Systemtic Name: methyl 2-(1-adamantylcarbamothioylamino)-2-phenyl-ethanoate Openeye Name: methyl 2-(1-adamantylcarbamothioylamino)-2-phenyl-acetate CAS Name: 2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-(1-adamantylcarbamothioylamino)-2-phenylacetate Traditional Name: 2-(1-adamantylthiocarbamoylamino)-2-phenyl-acetic acid methyl ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S/c1-24-18(23)17(16-5-3-2-4-6-16)21-19(25)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h2-6,13-15,17H,7-12H2,1H3,(H2,21,22,25)