4-(methylsulfanylmethyl)-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzamide

Systemtic Name: 4-(methylsulfanylmethyl)-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzamide Openeye Name: 4-(methylsulfanylmethyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzamide CAS Name: 4-[(methylthio)methyl]-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]benzamide IUPAC Name: 4-(methylsulfanylmethyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzamide Traditional Name: N-[3-(3-ketopiperazino)sulfonylphenyl]-4-[(methylthio)methyl]benzamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H21N3O4S2/c1-27-13-14-5-7-15(8-6-14)19(24)21-16-3-2-4-17(11-16)28(25,26)22-10-9-20-18(23)12-22/h2-8,11H,9-10,12-13H2,1H3,(H,20,23)(H,21,24)