5-[6-[4-[(4-phenyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]hexylsulfanyl]thiophene-2-carbaldehyde

Systemtic Name: 5-[6-[4-[(4-phenyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]hexylsulfanyl]thiophene-2-carbaldehyde Openeye Name: 5-[6-[4-(4-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]hexylsulfanyl]thiophene-2-carbaldehyde CAS Name: 5-[6-[4-[oxo-(4-phenyl-1H-pyrrol-2-yl)methyl]-1-piperazinyl]hexylthio]-2-thiophenecarboxaldehyde IUPAC Name: 5-[6-[4-(4-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]hexylsulfanyl]thiophene-2-carbaldehyde Traditional Name: 5-[6-[4-(4-phenyl-1H-pyrrole-2-carbonyl)piperazino]hexylthio]thiophene-2-carbaldehyde Formula: C26H31N3O2S2 MolecularWeight: 481.67324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCSC2=CC=C(S2)C=O)C(=O)C3=CC(=CN3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCCCCSC2=CC=C(S2)C=O)C(=O)C3=CC(=CN3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2S2/c30-20-23-10-11-25(33-23)32-17-7-2-1-6-12-28-13-15-29(16-14-28)26(31)24-18-22(19-27-24)21-8-4-3-5-9-21/h3-5,8-11,18-20,27H,1-2,6-7,12-17H2