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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-13(2)10-20(25)24-22(29)23-17-12-14(8-9-19(17)27-3)16-11-15-6-4-5-7-18(15)28-21(16)26/h4-9,11-13H,10H2,1-3H3,(H2,23,24,25,29)