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

Systemtic Name: 4-butoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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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=CC(=C4)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S/c1-4-5-14-33-20-10-8-18(9-11-20)25(31)30-27(35)29-22-15-19(7-6-17(22)2)26-28-23-16-21(32-3)12-13-24(23)34-26/h6-13,15-16H,4-5,14H2,1-3H3,(H2,29,30,31,35)