N-(2-phenoxyethyl)-N-[(3-sulfanylidenecyclohexa-1,5-dien-1-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-(2-phenoxyethyl)-N-[(3-sulfanylidenecyclohexa-1,5-dien-1-yl)methyl]piperidine-4-carboxamide Openeye Name: N-(2-phenoxyethyl)-N-[(3-thioxocyclohexa-1,5-dien-1-yl)methyl]piperidine-4-carboxamide CAS Name: N-(2-phenoxyethyl)-N-[(3-sulfanylidene-1-cyclohexa-1,5-dienyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(2-phenoxyethyl)-N-[(3-sulfanylidenecyclohexa-1,5-dien-1-yl)methyl]piperidine-4-carboxamide Traditional Name: N-(2-phenoxyethyl)-N-[(3-thioxocyclohexa-1,5-dien-1-yl)methyl]isonipecotamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)N(CCOC2=CC=CC=C2)CC3=CC(=S)CC=C3

Isomeric SMILES

C1CNCCC1C(=O)N(CCOC2=CC=CC=C2)CC3=CC(=S)CC=C3

InChI

InChI=1S/C21H26N2O2S/c24-21(18-9-11-22-12-10-18)23(16-17-5-4-8-20(26)15-17)13-14-25-19-6-2-1-3-7-19/h1-7,15,18,22H,8-14,16H2