N-(1,3-benzodioxol-5-yl)-1-[(4-phenoxyphenyl)carbamothioyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-phenoxyphenyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(4-phenoxyphenyl)carbamothioyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(4-phenoxyanilino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(4-phenoxyphenyl)carbamothioyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(4-phenoxyphenyl)thiocarbamoyl]isonipecotamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O4S/c30-25(27-20-8-11-23-24(16-20)32-17-31-23)18-12-14-29(15-13-18)26(34)28-19-6-9-22(10-7-19)33-21-4-2-1-3-5-21/h1-11,16,18H,12-15,17H2,(H,27,30)(H,28,34)