4-butoxy-N-[[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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