N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C19H18N4O4S3 MolecularWeight: 462.56562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C19H18N4O4S3/c1-28-19-22-15-6-5-13(10-16(15)29-19)21-18(25)12-3-2-4-14(9-12)30(26,27)23-8-7-20-17(24)11-23/h2-6,9-10H,7-8,11H2,1H3,(H,20,24)(H,21,25)