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

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3S/c1-21(2,3)19(26)24-20(28)23-13-8-9-14(16(22)11-13)15-10-12-6-4-5-7-17(12)27-18(15)25/h4-11H,1-3H3,(H2,23,24,26,28)