2-methylsulfonyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-methylsulfonyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-methylsulfonyl-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-methylsulfonyl-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-methylsulfonyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-mesyl-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H18N2O3S4 MolecularWeight: 474.63922

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

InChI

InChI=1S/C21H18N2O3S4/c1-30(25,26)19-5-3-2-4-16(19)20(24)22-15-6-7-17-18(12-15)29-21(23-17)28-11-9-14-8-10-27-13-14/h2-8,10,12-13H,9,11H2,1H3,(H,22,24)