2-(1-adamantyl)-N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]acetamide Formula: C21H27ClN2O3S MolecularWeight: 422.96868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)OC)Cl

InChI

InChI=1S/C21H27ClN2O3S/c1-26-17-7-16(18(27-2)6-15(17)22)23-20(28)24-19(25)11-21-8-12-3-13(9-21)5-14(4-12)10-21/h6-7,12-14H,3-5,8-11H2,1-2H3,(H2,23,24,25,28)