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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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