4-(4-ethanoylphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCC3CCCO3

InChI

InChI=1S/C18H25N3O2S/c1-14(22)15-4-6-16(7-5-15)20-8-10-21(11-9-20)18(24)19-13-17-3-2-12-23-17/h4-7,17H,2-3,8-13H2,1H3,(H,19,24)