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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]-5-(3-chlorophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]-5-(3-chlorophenyl)-2-furamide Formula: C25H15BrClN3O2S2 MolecularWeight: 568.8925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H15BrClN3O2S2/c26-15-8-9-18(17(13-15)24-28-19-6-1-2-7-22(19)34-24)29-25(33)30-23(31)21-11-10-20(32-21)14-4-3-5-16(27)12-14/h1-13H,(H2,29,30,31,33)