[5-[(Z)-2-benzamido-3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]furan-2-yl] morpholine-4-carbodithioate

Systemtic Name: [5-[(Z)-2-benzamido-3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]furan-2-yl] morpholine-4-carbodithioate Openeye Name: [5-[(Z)-2-benzamido-3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]prop-1-enyl]-2-furyl] morpholine-4-carbodithioate CAS Name: 4-morpholinecarbodithioic acid [5-[(Z)-2-benzamido-3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]prop-1-enyl]-2-furanyl] ester IUPAC Name: [5-[(Z)-2-benzamido-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]furan-2-yl] morpholine-4-carbodithioate Traditional Name: morpholine-4-carbodithioic acid [5-[(Z)-2-benzamido-3-keto-3-[4-(2-pyridyl)piperazino]prop-1-enyl]-2-furyl] ester Formula: C28H29N5O4S2 MolecularWeight: 563.69096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C(=CC3=CC=C(O3)SC(=S)N4CCOCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)/C(=C/C3=CC=C(O3)SC(=S)N4CCOCC4)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O4S2/c34-26(21-6-2-1-3-7-21)30-23(27(35)32-14-12-31(13-15-32)24-8-4-5-11-29-24)20-22-9-10-25(37-22)39-28(38)33-16-18-36-19-17-33/h1-11,20H,12-19H2,(H,30,34)/b23-20-