N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-thienyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-2-thiophenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)thiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[3-(piperonylcarbamoyl)-2-thienyl]isonipecotamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2=C(C=CS2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC2=C(C=CS2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O5S/c1-13(25)24-7-4-15(5-8-24)19(26)23-21-16(6-9-30-21)20(27)22-11-14-2-3-17-18(10-14)29-12-28-17/h2-3,6,9-10,15H,4-5,7-8,11-12H2,1H3,(H,22,27)(H,23,26)