2-(1-adamantyl)-N-[(3-methoxyphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(3-methoxyphenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3-methoxyphenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(3-methoxyanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-methoxyphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3-methoxyphenyl)thiocarbamoyl]acetamide Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

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