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

Systemtic Name: N-(2-carbamothioyl-4-oxidanylidene-chromen-8-yl)-4-octoxy-benzamide Openeye Name: N-(2-carbamothioyl-4-oxo-chromen-8-yl)-4-octoxy-benzamide CAS Name: N-(2-carbamothioyl-4-oxo-1-benzopyran-8-yl)-4-octoxybenzamide IUPAC Name: N-(2-carbamothioyl-4-oxochromen-8-yl)-4-octoxybenzamide Traditional Name: N-(4-keto-2-thiocarbamoyl-chromen-8-yl)-4-octoxy-benzamide Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=S)N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C(=S)N

InChI

InChI=1S/C25H28N2O4S/c1-2-3-4-5-6-7-15-30-18-13-11-17(12-14-18)25(29)27-20-10-8-9-19-21(28)16-22(24(26)32)31-23(19)20/h8-14,16H,2-7,15H2,1H3,(H2,26,32)(H,27,29)