4-butoxy-N-(2-carbamothioyl-4-oxidanylidene-chromen-8-yl)benzamide

Systemtic Name: 4-butoxy-N-(2-carbamothioyl-4-oxidanylidene-chromen-8-yl)benzamide Openeye Name: 4-butoxy-N-(2-carbamothioyl-4-oxo-chromen-8-yl)benzamide CAS Name: 4-butoxy-N-(2-carbamothioyl-4-oxo-1-benzopyran-8-yl)benzamide IUPAC Name: 4-butoxy-N-(2-carbamothioyl-4-oxochromen-8-yl)benzamide Traditional Name: 4-butoxy-N-(4-keto-2-thiocarbamoyl-chromen-8-yl)benzamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=S)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=S)N

InChI

InChI=1S/C21H20N2O4S/c1-2-3-11-26-14-9-7-13(8-10-14)21(25)23-16-6-4-5-15-17(24)12-18(20(22)28)27-19(15)16/h4-10,12H,2-3,11H2,1H3,(H2,22,28)(H,23,25)