4-[[2-[2-chloranyl-4-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]phenyl]sulfanylphenyl]methyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[[2-[2-chloranyl-4-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]phenyl]sulfanylphenyl]methyl]piperazine-1-carbaldehyde Openeye Name: 4-[[2-[2-chloro-4-[(E)-3-morpholino-3-oxo-prop-1-enyl]phenyl]sulfanylphenyl]methyl]piperazine-1-carbaldehyde CAS Name: 4-[[2-[[2-chloro-4-[(E)-3-(4-morpholinyl)-3-oxoprop-1-enyl]phenyl]thio]phenyl]methyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[2-[2-chloro-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]sulfanylphenyl]methyl]piperazine-1-carbaldehyde Traditional Name: 4-[2-[[2-chloro-4-[(E)-3-keto-3-morpholino-prop-1-enyl]phenyl]thio]benzyl]piperazine-1-carbaldehyde Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2SC3=C(C=C(C=C3)C=CC(=O)N4CCOCC4)Cl)C=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2SC3=C(C=C(C=C3)/C=C/C(=O)N4CCOCC4)Cl)C=O

InChI

InChI=1S/C25H28ClN3O3S/c26-22-17-20(6-8-25(31)29-13-15-32-16-14-29)5-7-24(22)33-23-4-2-1-3-21(23)18-27-9-11-28(19-30)12-10-27/h1-8,17,19H,9-16,18H2/b8-6+