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

Systemtic Name: N-[[2-chloranyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[2-chloro-5-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[2-chloro-5-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C22H24ClN3O2S/c1-12(2)13-7-9-18-17(10-13)24-19(28-18)14-6-8-15(23)16(11-14)25-21(29)26-20(27)22(3,4)5/h6-12H,1-5H3,(H2,25,26,27,29)