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

Systemtic Name: N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C26H20N2O4S/c1-31-23-13-12-18(20-15-19-9-5-6-10-22(19)32-25(20)30)16-21(23)27-26(33)28-24(29)14-11-17-7-3-2-4-8-17/h2-16H,1H3,(H2,27,28,29,33)