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

Systemtic Name: 4-butoxy-N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4C

InChI

InChI=1S/C26H25N3O3S/c1-3-4-15-31-20-12-9-18(10-13-20)24(30)29-26(33)27-19-11-14-23-22(16-19)28-25(32-23)21-8-6-5-7-17(21)2/h5-14,16H,3-4,15H2,1-2H3,(H2,27,29,30,33)