N-[3-oxidanylidene-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propyl]adamantane-1-carboxamide Openeye Name: N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]adamantane-1-carboxamide CAS Name: N-[3-oxo-3-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[4-(2-thenoyl)piperazino]propyl]adamantane-1-carboxamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

InChI

InChI=1S/C23H31N3O3S/c27-20(25-5-7-26(8-6-25)21(28)19-2-1-9-30-19)3-4-24-22(29)23-13-16-10-17(14-23)12-18(11-16)15-23/h1-2,9,16-18H,3-8,10-15H2,(H,24,29)