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

Systemtic Name: ethanedioic acid; N-ethyl-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-ethyl-piperazine-1-carbothioamide; oxalic acid CAS Name: N-ethyl-4-(phenylmethyl)-1-piperazinecarbothioamide; oxalic acid IUPAC Name: 4-benzyl-N-ethylpiperazine-1-carbothioamide; oxalic acid Traditional Name: 4-benzyl-N-ethyl-piperazine-1-carbothioamide; oxalic acid Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21N3S.C2H2O4/c1-2-15-14(18)17-10-8-16(9-11-17)12-13-6-4-3-5-7-13;3-1(4)2(5)6/h3-7H,2,8-12H2,1H3,(H,15,18);(H,3,4)(H,5,6)