ethanedioic acid; 4-(phenylmethyl)-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: ethanedioic acid; 4-(phenylmethyl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-benzyl-piperazine-1-carbothioamide; oxalic acid CAS Name: oxalic acid; 4-(phenylmethyl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-prop-2-enylpiperazine-1-carbothioamide; oxalic acid Traditional Name: N-allyl-4-benzyl-piperazine-1-carbothioamide; oxalic acid Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3S.C2H2O4/c1-2-8-16-15(19)18-11-9-17(10-12-18)13-14-6-4-3-5-7-14;3-1(4)2(5)6/h2-7H,1,8-13H2,(H,16,19);(H,3,4)(H,5,6)