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

Systemtic Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: 2,2-dimethyl-N-[(2-p-phenetyl-1,3-benzoxazol-5-yl)thiocarbamoyl]propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C21H23N3O3S/c1-5-26-15-9-6-13(7-10-15)18-23-16-12-14(8-11-17(16)27-18)22-20(28)24-19(25)21(2,3)4/h6-12H,5H2,1-4H3,(H2,22,24,25,28)