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

Systemtic Name: N-(oxolan-2-ylmethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H23N3O3S2/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/h1-3,6-7,14H,4-5,8-13H2,(H,17,23)