3-oxidanylidene-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)butanethioic S-acid

Systemtic Name: 3-oxidanylidene-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)butanethioic S-acid Openeye Name: 3-oxo-2-phenyl-2-[4-(4-pyridyl)piperazin-1-yl]butanethioic S-acid CAS Name: 3-oxo-2-phenyl-2-(4-pyridin-4-yl-1-piperazinyl)butanethioic S-acid IUPAC Name: 3-oxo-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)butanethioic S-acid Traditional Name: 3-keto-2-phenyl-2-[4-(4-pyridyl)piperazino]thiobutyric acid Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1)(C(=O)S)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1)(C(=O)S)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C19H21N3O2S/c1-15(23)19(18(24)25,16-5-3-2-4-6-16)22-13-11-21(12-14-22)17-7-9-20-10-8-17/h2-10H,11-14H2,1H3,(H,24,25)