N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]coumarilamide Formula: C24H17N3O2S2 MolecularWeight: 443.54068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H17N3O2S2/c1-14-12-16(23-25-18-7-3-5-9-21(18)31-23)10-11-17(14)26-24(30)27-22(28)20-13-15-6-2-4-8-19(15)29-20/h2-13H,1H3,(H2,26,27,28,30)