2-(1-adamantyl)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(2-chloro-6-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=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

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