3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide Openeye Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-[2-(2-thienylmethylsulfanyl)ethyl]benzamide CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]-N-[2-(thiophen-2-ylmethylthio)ethyl]benzamide IUPAC Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[2-(2-thenylthio)ethyl]benzamide Formula: C18H21N3O4S3 MolecularWeight: 439.57204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C18H21N3O4S3/c22-17-12-21(8-6-19-17)28(24,25)16-5-1-3-14(11-16)18(23)20-7-10-26-13-15-4-2-9-27-15/h1-5,9,11H,6-8,10,12-13H2,(H,19,22)(H,20,23)