4-(2,3-dimethylphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCC3CCCO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCC3CCCO3)C

InChI

InChI=1S/C18H27N3OS/c1-14-5-3-7-17(15(14)2)20-8-10-21(11-9-20)18(23)19-13-16-6-4-12-22-16/h3,5,7,16H,4,6,8-13H2,1-2H3,(H,19,23)