N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzofuran-2-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(2-methyl-1,3-benzothiazol-6-yl)coumarilamide Formula: C25H20N2O2S2 MolecularWeight: 444.5685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

InChI=1S/C25H20N2O2S2/c1-16-26-21-12-11-18(13-23(21)31-16)27-25(28)24-20(19-9-5-6-10-22(19)29-24)15-30-14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,27,28)