N-(2,6-dimethylphenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(2,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(2,6-dimethylphenyl)-4-[2-furanyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(2,6-dimethylphenyl)-4-(2-furoyl)piperazine-1-carbothioamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H21N3O2S/c1-13-5-3-6-14(2)16(13)19-18(24)21-10-8-20(9-11-21)17(22)15-7-4-12-23-15/h3-7,12H,8-11H2,1-2H3,(H,19,24)