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

Systemtic Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)ethanamide Openeye Name: 2-(2-methylphenoxy)-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-(2-methylphenoxy)acetamide IUPAC Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide Traditional Name: 2-(2-methylphenoxy)-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4C

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4C

InChI

InChI=1S/C27H27N3O3S/c1-4-17(2)20-11-14-24-22(15-20)29-26(33-24)19-9-12-21(13-10-19)28-27(34)30-25(31)16-32-23-8-6-5-7-18(23)3/h5-15,17H,4,16H2,1-3H3,(H2,28,30,31,34)