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

Systemtic Name: 5-methylsulfonyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Openeye Name: 5-methylsulfonyl-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide CAS Name: 5-methylsulfonyl-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-2-thiophenecarboxamide IUPAC Name: 5-methylsulfonyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Traditional Name: 5-mesyl-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Formula: C19H16N2O3S5 MolecularWeight: 480.66694

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(S1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

InChI

InChI=1S/C19H16N2O3S5/c1-29(23,24)17-5-4-15(27-17)18(22)20-13-2-3-14-16(10-13)28-19(21-14)26-9-7-12-6-8-25-11-12/h2-6,8,10-11H,7,9H2,1H3,(H,20,22)