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

Systemtic Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H23N3O2S/c1-12-6-7-14(10-13(12)2)18-23-16-11-15(8-9-17(16)26-18)22-20(27)24-19(25)21(3,4)5/h6-11H,1-5H3,(H2,22,24,25,27)