N-[[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[3-methoxy-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[4-(2-ketochromen-3-yl)-3-methoxy-phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC(=C(C=C1)C2=CC3=CC=CC=C3OC2=O)OC

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC(=C(C=C1)C2=CC3=CC=CC=C3OC2=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-22(2,3)20(26)24-21(29)23-14-9-10-15(18(12-14)27-4)16-11-13-7-5-6-8-17(13)28-19(16)25/h5-12H,1-4H3,(H2,23,24,26,29)