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

Systemtic Name: 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C27H38N4O2S MolecularWeight: 482.68122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O2S/c1-2-3-25(33)31-10-8-30(9-11-31)23-6-4-22(5-7-23)28-26(34)29-24(32)18-27-15-19-12-20(16-27)14-21(13-19)17-27/h4-7,19-21H,2-3,8-18H2,1H3,(H2,28,29,32,34)