(2E)-2-hydroxyimino-3-[4-(phenylmethyl)piperazin-1-yl]propanethioic S-acid

Systemtic Name: (2E)-2-hydroxyimino-3-[4-(phenylmethyl)piperazin-1-yl]propanethioic S-acid Openeye Name: (2E)-3-(4-benzylpiperazin-1-yl)-2-hydroxyimino-propanethioic S-acid CAS Name: (2E)-2-hydroxyimino-3-[4-(phenylmethyl)-1-piperazinyl]propanethioic S-acid IUPAC Name: (2E)-3-(4-benzylpiperazin-1-yl)-2-hydroxyiminopropanethioic S-acid Traditional Name: (2E)-3-(4-benzylpiperazino)-2-hydroximino-thiopropionic acid Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(=NO)C(=O)S

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C/C(=N\O)/C(=O)S

InChI

InChI=1S/C14H19N3O2S/c18-14(20)13(15-19)11-17-8-6-16(7-9-17)10-12-4-2-1-3-5-12/h1-5,19H,6-11H2,(H,18,20)/b15-13+