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

Systemtic Name: 2-(1-adamantyl)-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]acetamide Formula: C28H34N4O2S2 MolecularWeight: 522.72516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CS6

InChI

InChI=1S/C28H34N4O2S2/c33-25(18-28-15-19-12-20(16-28)14-21(13-19)17-28)30-27(35)29-22-3-5-23(6-4-22)31-7-9-32(10-8-31)26(34)24-2-1-11-36-24/h1-6,11,19-21H,7-10,12-18H2,(H2,29,30,33,35)