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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C26H18N4O4S2 MolecularWeight: 514.57552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC(=S)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC(=S)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C26H18N4O4S2/c31-24(22-14-13-21(34-22)18-5-1-3-7-20(18)30(32)33)29-26(35)27-15-16-9-11-17(12-10-16)25-28-19-6-2-4-8-23(19)36-25/h1-14H,15H2,(H2,27,29,31,35)