3-butoxy-N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)C

InChI

InChI=1S/C26H24ClN3O3S/c1-3-4-12-32-20-7-5-6-17(13-20)24(31)30-26(34)29-21-14-18(9-8-16(21)2)25-28-22-15-19(27)10-11-23(22)33-25/h5-11,13-15H,3-4,12H2,1-2H3,(H2,29,30,31,34)