ethanedioic acid; N-(oxolan-2-ylmethyl)-4-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: ethanedioic acid; N-(oxolan-2-ylmethyl)-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide; oxalic acid CAS Name: oxalic acid; N-(2-oxolanylmethyl)-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide; oxalic acid Traditional Name: 4-benzyl-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide; oxalic acid Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3OS.C2H2O4/c22-17(18-13-16-7-4-12-21-16)20-10-8-19(9-11-20)14-15-5-2-1-3-6-15;3-1(4)2(5)6/h1-3,5-6,16H,4,7-14H2,(H,18,22);(H,3,4)(H,5,6)