2-(1-adamantyl)-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]acetamide Formula: C23H29ClN4O3S MolecularWeight: 477.01936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29ClN4O3S/c24-19-10-18(28(30)31)1-2-20(19)26-3-5-27(6-4-26)22(32)25-21(29)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-17H,3-9,11-14H2,(H,25,29,32)