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

Systemtic Name: N-[[2-(3-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-11-5-6-12(9-14(11)21)17-23-15-10-13(7-8-16(15)26-17)22-19(27)24-18(25)20(2,3)4/h5-10H,1-4H3,(H2,22,24,25,27)