N-(furan-2-ylmethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O3S2/c20-24(21,15-6-2-1-3-7-15)19-10-8-18(9-11-19)16(23)17-13-14-5-4-12-22-14/h1-7,12H,8-11,13H2,(H,17,23)