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

Systemtic Name: 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]acetamide Formula: C27H37ClN4O2S MolecularWeight: 517.12628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C27H37ClN4O2S/c1-2-3-25(34)32-8-6-31(7-9-32)23-5-4-21(13-22(23)28)29-26(35)30-24(33)17-27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,13,18-20H,2-3,6-12,14-17H2,1H3,(H2,29,30,33,35)