N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-ethylphenoxy)ethanamide

Systemtic Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-ethylphenoxy)ethanamide Openeye Name: 2-(4-ethylphenoxy)-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-(4-ethylphenoxy)acetamide IUPAC Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-ethylphenoxy)acetamide Traditional Name: 2-(4-ethylphenoxy)-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)CC

InChI

InChI=1S/C28H29N3O3S/c1-4-18(3)21-10-15-25-24(16-21)30-27(34-25)20-8-11-22(12-9-20)29-28(35)31-26(32)17-33-23-13-6-19(5-2)7-14-23/h6-16,18H,4-5,17H2,1-3H3,(H2,29,31,32,35)