N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-12(2)19(24)23-21(28)22-16-11-13(8-9-18(16)26-3)15-10-14-6-4-5-7-17(14)27-20(15)25/h4-12H,1-3H3,(H2,22,23,24,28)