4-[2-[(3-thiophen-3-ylphenyl)methylsulfinyl]ethanoyl]piperazine-1-carboxamide

Systemtic Name: 4-[2-[(3-thiophen-3-ylphenyl)methylsulfinyl]ethanoyl]piperazine-1-carboxamide Openeye Name: 4-[2-[[3-(3-thienyl)phenyl]methylsulfinyl]acetyl]piperazine-1-carboxamide CAS Name: 4-[1-oxo-2-[[3-(3-thiophenyl)phenyl]methylsulfinyl]ethyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-[(3-thiophen-3-ylphenyl)methylsulfinyl]acetyl]piperazine-1-carboxamide Traditional Name: 4-[2-[3-(3-thienyl)benzyl]sulfinylacetyl]piperazine-1-carboxamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CS(=O)CC2=CC=CC(=C2)C3=CSC=C3)C(=O)N

Isomeric SMILES

C1CN(CCN1C(=O)CS(=O)CC2=CC=CC(=C2)C3=CSC=C3)C(=O)N

InChI

InChI=1S/C18H21N3O3S2/c19-18(23)21-7-5-20(6-8-21)17(22)13-26(24)12-14-2-1-3-15(10-14)16-4-9-25-11-16/h1-4,9-11H,5-8,12-13H2,(H2,19,23)