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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C26H21ClN2O5S MolecularWeight: 508.97334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC)Cl

InChI

InChI=1S/C26H21ClN2O5S/c1-3-33-22-10-9-17(13-19(22)27)24(30)29-26(35)28-20-14-15(8-11-23(20)32-2)18-12-16-6-4-5-7-21(16)34-25(18)31/h4-14H,3H2,1-2H3,(H2,28,29,30,35)