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

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-5-methylsulfonyl-2-thiophenecarboxamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-methylsulfonylthiophene-2-carboxamide Traditional Name: 5-mesyl-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Formula: C21H18N2O4S4 MolecularWeight: 490.63862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(S4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(S4)S(=O)(=O)C

InChI

InChI=1S/C21H18N2O4S4/c1-27-16-6-4-3-5-13(16)12-28-21-23-15-8-7-14(11-18(15)30-21)22-20(24)17-9-10-19(29-17)31(2,25)26/h3-11H,12H2,1-2H3,(H,22,24)