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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(4-methylphenoxy)ethanamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-(4-methylphenoxy)acetamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-(4-methylphenoxy)acetamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C24H21N3O3S/c1-15-7-11-18(12-8-15)29-14-22(28)27-24(31)26-20-13-17(10-9-16(20)2)23-25-19-5-3-4-6-21(19)30-23/h3-13H,14H2,1-2H3,(H2,26,27,28,31)