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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-5-(4-bromophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-5-(4-bromophenyl)-2-furamide Formula: C25H15BrIN3O2S2 MolecularWeight: 660.34397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H15BrIN3O2S2/c26-15-7-5-14(6-8-15)20-11-12-21(32-20)23(31)30-25(33)29-18-10-9-16(27)13-17(18)24-28-19-3-1-2-4-22(19)34-24/h1-13H,(H2,29,30,31,33)