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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2SC1=NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

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