5-(4-bromophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-furamide Formula: C21H16BrN3O4S2 MolecularWeight: 518.40344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C21H16BrN3O4S2/c1-27-13-9-16(28-2)18-17(10-13)31-21(23-18)25-20(30)24-19(26)15-8-7-14(29-15)11-3-5-12(22)6-4-11/h3-10H,1-2H3,(H2,23,24,25,26,30)