2-(1-adamantyl)-N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-chloro-4-(4-methylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C24H33ClN4OS MolecularWeight: 461.06302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C24H33ClN4OS/c1-28-4-6-29(7-5-28)21-3-2-19(11-20(21)25)26-23(31)27-22(30)15-24-12-16-8-17(13-24)10-18(9-16)14-24/h2-3,11,16-18H,4-10,12-15H2,1H3,(H2,26,27,30,31)