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

Systemtic Name: 2,2-dimethyl-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: 2,2-dimethyl-N-[[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[(2-p-cumenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-13(2)14-6-8-15(9-7-14)19-24-17-12-16(10-11-18(17)27-19)23-21(28)25-20(26)22(3,4)5/h6-13H,1-5H3,(H2,23,25,26,28)