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

Systemtic Name: ethanedioic acid; 4-methyl-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-methyl-N-phenethyl-piperazine-1-carbothioamide; oxalic acid CAS Name: 4-methyl-N-phenethyl-1-piperazinecarbothioamide; oxalic acid IUPAC Name: 4-methyl-N-phenethylpiperazine-1-carbothioamide; oxalic acid Traditional Name: 4-methyl-N-phenethyl-piperazine-1-carbothioamide; oxalic acid Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NCCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C(=S)NCCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21N3S.C2H2O4/c1-16-9-11-17(12-10-16)14(18)15-8-7-13-5-3-2-4-6-13;3-1(4)2(5)6/h2-6H,7-12H2,1H3,(H,15,18);(H,3,4)(H,5,6)