2-(1-adamantyl)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3S/c28-21(15-23-12-16-9-17(13-23)11-18(10-16)14-23)24-22(31)26-7-5-25(6-8-26)19-1-3-20(4-2-19)27(29)30/h1-4,16-18H,5-15H2,(H,24,28,31)