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

Systemtic Name: 4-butoxy-N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[3-(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=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

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