ethanedioic acid; 4-ethyl-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name: ethanedioic acid; 4-ethyl-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-ethyl-N-phenethyl-piperazine-1-carbothioamide; oxalic acid CAS Name: 4-ethyl-N-phenethyl-1-piperazinecarbothioamide; oxalic acid IUPAC Name: 4-ethyl-N-phenethylpiperazine-1-carbothioamide; oxalic acid Traditional Name: 4-ethyl-N-phenethyl-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)NCCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C(=S)NCCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23N3S.C2H2O4/c1-2-17-10-12-18(13-11-17)15(19)16-9-8-14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7H,2,8-13H2,1H3,(H,16,19);(H,3,4)(H,5,6)