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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-5-(4-bromophenyl)-2-furancarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-5-(4-bromophenyl)-2-furamide Formula: C26H18BrN3O2S2 MolecularWeight: 548.47402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18BrN3O2S2/c27-19-11-9-17(10-12-19)21-13-14-22(32-21)24(31)30-26(33)28-15-16-5-7-18(8-6-16)25-29-20-3-1-2-4-23(20)34-25/h1-14H,15H2,(H2,28,30,31,33)