S-(2-hydroxyethyl) (2Z)-2-hydroxyimino-3-[4-(phenylmethyl)piperazin-1-yl]propanethioate

Systemtic Name: S-(2-hydroxyethyl) (2Z)-2-hydroxyimino-3-[4-(phenylmethyl)piperazin-1-yl]propanethioate Openeye Name: S-(2-hydroxyethyl) (2Z)-3-(4-benzylpiperazin-1-yl)-2-hydroxyimino-propanethioate CAS Name: (2Z)-2-hydroxyimino-3-[4-(phenylmethyl)-1-piperazinyl]propanethioic acid S-(2-hydroxyethyl) ester IUPAC Name: S-(2-hydroxyethyl) (2Z)-3-(4-benzylpiperazin-1-yl)-2-hydroxyiminopropanethioate Traditional Name: (2Z)-3-(4-benzylpiperazino)-2-hydroximino-propanethioic acid S-(2-hydroxyethyl) ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C/C(=N/O)/C(=O)SCCO

InChI

InChI=1S/C16H23N3O3S/c20-10-11-23-16(21)15(17-22)13-19-8-6-18(7-9-19)12-14-4-2-1-3-5-14/h1-5,20,22H,6-13H2/b17-15-