4-butoxy-N-(2-carbamothioyl-4-oxidanylidene-chromen-6-yl)benzamide

Systemtic Name: 4-butoxy-N-(2-carbamothioyl-4-oxidanylidene-chromen-6-yl)benzamide Openeye Name: 4-butoxy-N-(2-carbamothioyl-4-oxo-chromen-6-yl)benzamide CAS Name: 4-butoxy-N-(2-carbamothioyl-4-oxo-1-benzopyran-6-yl)benzamide IUPAC Name: 4-butoxy-N-(2-carbamothioyl-4-oxochromen-6-yl)benzamide Traditional Name: 4-butoxy-N-(4-keto-2-thiocarbamoyl-chromen-6-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=CC3=C(C=C2)OC(=CC3=O)C(=S)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=CC3=O)C(=S)N

InChI

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