4-butan-2-yloxy-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 4-butan-2-yloxy-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-sec-butoxy-benzamide CAS Name: 4-butan-2-yloxy-N-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butan-2-yloxy-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: N-[(2-p-phenetyl-1,3-benzoxazol-5-yl)thiocarbamoyl]-4-sec-butoxy-benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)OCC

InChI

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