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

Systemtic Name: N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]propanamide Openeye Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]propanamide CAS Name: N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]propanamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]propionamide Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S/c1-3-18(23)22-20(27)21-15-11-12(8-9-17(15)25-2)14-10-13-6-4-5-7-16(13)26-19(14)24/h4-11H,3H2,1-2H3,(H2,21,22,23,27)