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

Systemtic Name: 3-butoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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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=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c1-4-5-13-32-21-8-6-7-19(15-21)25(31)30-27(34)29-23-16-20(11-10-18(23)3)26-28-22-12-9-17(2)14-24(22)33-26/h6-12,14-16H,4-5,13H2,1-3H3,(H2,29,30,31,34)