5-bromanyl-N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]-1-naphthamide Formula: C28H19BrN2O4S MolecularWeight: 559.43046

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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=CC5=C4C=CC=C5Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C28H19BrN2O4S/c1-34-25-13-12-16(21-14-17-6-2-3-11-24(17)35-27(21)33)15-23(25)30-28(36)31-26(32)20-9-4-8-19-18(20)7-5-10-22(19)29/h2-15H,1H3,(H2,30,31,32,36)