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

Systemtic Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)OC

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)OC

InChI

InChI=1S/C20H21N3O3S/c1-20(2,3)18(24)23-19(27)21-13-7-5-6-12(10-13)17-22-15-11-14(25-4)8-9-16(15)26-17/h5-11H,1-4H3,(H2,21,23,24,27)