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

Systemtic Name: N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-5-(4-chlorophenyl)-2-furancarboxamide IUPAC Name: N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-furamide Formula: C29H24ClN3O3S MolecularWeight: 530.03716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24ClN3O3S/c1-3-17(2)19-9-12-25-23(16-19)32-28(36-25)20-5-4-6-22(15-20)31-29(37)33-27(34)26-14-13-24(35-26)18-7-10-21(30)11-8-18/h4-17H,3H2,1-2H3,(H2,31,33,34,37)