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

Systemtic Name: 2-(1-adamantyl)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C26H36N4O2S MolecularWeight: 468.65464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O2S/c1-2-24(32)30-9-7-29(8-10-30)22-5-3-21(4-6-22)27-25(33)28-23(31)17-26-14-18-11-19(15-26)13-20(12-18)16-26/h3-6,18-20H,2,7-17H2,1H3,(H2,27,28,31,33)