N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 4-isobutoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 4-isobutoxy-N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC

InChI

InChI=1S/C28H26N2O5S/c1-17(2)16-34-21-11-8-18(9-12-21)26(31)30-28(36)29-23-15-19(10-13-25(23)33-3)22-14-20-6-4-5-7-24(20)35-27(22)32/h4-15,17H,16H2,1-3H3,(H2,29,30,31,36)