N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamide Openeye Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(2-isopropyl-5-methyl-phenoxy)acetamide CAS Name: N-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(2-p-phenetyl-1,3-benzoxazol-5-yl)thiocarbamoyl]acetamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)COC4=C(C=CC(=C4)C)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)COC4=C(C=CC(=C4)C)C(C)C

InChI

InChI=1S/C28H29N3O4S/c1-5-33-21-10-7-19(8-11-21)27-30-23-15-20(9-13-24(23)35-27)29-28(36)31-26(32)16-34-25-14-18(4)6-12-22(25)17(2)3/h6-15,17H,5,16H2,1-4H3,(H2,29,31,32,36)