2-(1-adamantyl)-N-[(2,5-dimethoxyphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(2,5-dimethoxyphenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2,5-dimethoxyphenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2,5-dimethoxyphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2,5-dimethoxyphenyl)thiocarbamoyl]acetamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-25-16-3-4-18(26-2)17(8-16)22-20(27)23-19(24)12-21-9-13-5-14(10-21)7-15(6-13)11-21/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H2,22,23,24,27)