N-(3-ethanoylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-ethanoylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(2-furfuryl)piperazine-1-carbothioamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C18H21N3O2S/c1-14(22)15-4-2-5-16(12-15)19-18(24)21-9-7-20(8-10-21)13-17-6-3-11-23-17/h2-6,11-12H,7-10,13H2,1H3,(H,19,24)