N-[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-[(5-chloro-2-thienyl)methyl]piperazino]-4-keto-butyl]adamantane-1-carboxamide Formula: C24H34ClN3O2S MolecularWeight: 464.06366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34ClN3O2S/c25-21-4-3-20(31-21)16-27-6-8-28(9-7-27)22(29)2-1-5-26-23(30)24-13-17-10-18(14-24)12-19(11-17)15-24/h3-4,17-19H,1-2,5-16H2,(H,26,30)