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

Systemtic Name: 5-methylsulfonyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide CAS Name: 5-methylsulfonyl-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-thiophenecarboxamide IUPAC Name: 5-methylsulfonyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-5-mesyl-thiophene-2-carboxamide Formula: C18H20N2O3S5 MolecularWeight: 472.688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)S(=O)(=O)C

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O3S5/c1-11(2)24-8-9-25-18-20-13-5-4-12(10-15(13)27-18)19-17(21)14-6-7-16(26-14)28(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)