1-methanoyl-N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-methanoyl-N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]piperidine-4-carboxamide Openeye Name: 1-formyl-N-[2-(4-thioxanthen-9-ylidene-1-piperidyl)ethyl]piperidine-4-carboxamide CAS Name: 1-formyl-N-[2-[4-(9-thioxanthenylidene)-1-piperidinyl]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-formyl-N-[2-(4-thioxanthen-9-ylidenepiperidin-1-yl)ethyl]piperidine-4-carboxamide Traditional Name: 1-formyl-N-[2-(4-thioxanthen-9-ylidenepiperidino)ethyl]isonipecotamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCN2CCC(=C3C4=CC=CC=C4SC5=CC=CC=C53)CC2)C=O

Isomeric SMILES

C1CN(CCC1C(=O)NCCN2CCC(=C3C4=CC=CC=C4SC5=CC=CC=C53)CC2)C=O

InChI

InChI=1S/C27H31N3O2S/c31-19-30-16-11-21(12-17-30)27(32)28-13-18-29-14-9-20(10-15-29)26-22-5-1-3-7-24(22)33-25-8-4-2-6-23(25)26/h1-8,19,21H,9-18H2,(H,28,32)