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

Systemtic Name: N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C22H16N2O4S2 MolecularWeight: 436.50344

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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)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H16N2O4S2/c1-27-18-9-8-13(15-11-14-5-2-3-6-17(14)28-21(15)26)12-16(18)23-22(29)24-20(25)19-7-4-10-30-19/h2-12H,1H3,(H2,23,24,25,29)