N-(1,3-benzodioxol-5-yl)-1-[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-phenyl-2-thioxo-1H-imidazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-phenyl-2-thioxo-4-imidazoline-4-carbonyl)isonipecotamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CNC(=S)N4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CNC(=S)N4C5=CC=CC=C5

InChI

InChI=1S/C23H22N4O4S/c28-21(25-16-6-7-19-20(12-16)31-14-30-19)15-8-10-26(11-9-15)22(29)18-13-24-23(32)27(18)17-4-2-1-3-5-17/h1-7,12-13,15H,8-11,14H2,(H,24,32)(H,25,28)