3-ethoxy-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 3-ethoxy-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[(2-p-cumenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C26H25N3O3S/c1-4-31-21-7-5-6-19(14-21)24(30)29-26(33)27-20-12-13-23-22(15-20)28-25(32-23)18-10-8-17(9-11-18)16(2)3/h5-16H,4H2,1-3H3,(H2,27,29,30,33)