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

Systemtic Name: 5-(4-bromophenyl)-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]-2-furamide Formula: C29H24BrN3O3S MolecularWeight: 574.48816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H24BrN3O3S/c1-17(2)21-9-12-25-23(15-21)32-28(36-25)20-5-3-18(4-6-20)16-31-29(37)33-27(34)26-14-13-24(35-26)19-7-10-22(30)11-8-19/h3-15,17H,16H2,1-2H3,(H2,31,33,34,37)