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

Systemtic Name: N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]valeramide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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