ethanedioic acid; 4-ethyl-N-(1-phenylethyl)piperazine-1-carbothioamide

Systemtic Name: ethanedioic acid; 4-ethyl-N-(1-phenylethyl)piperazine-1-carbothioamide Openeye Name: 4-ethyl-N-(1-phenylethyl)piperazine-1-carbothioamide; oxalic acid CAS Name: 4-ethyl-N-(1-phenylethyl)-1-piperazinecarbothioamide; oxalic acid IUPAC Name: 4-ethyl-N-(1-phenylethyl)piperazine-1-carbothioamide; oxalic acid Traditional Name: 4-ethyl-N-(1-phenylethyl)piperazine-1-carbothioamide; oxalic acid Formula: C17H25N3O4S MolecularWeight: 367.4631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)NC(C)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C(=S)NC(C)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23N3S.C2H2O4/c1-3-17-9-11-18(12-10-17)15(19)16-13(2)14-7-5-4-6-8-14;3-1(4)2(5)6/h4-8,13H,3,9-12H2,1-2H3,(H,16,19);(H,3,4)(H,5,6)