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

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

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=CC3=O)C(=S)N

InChI

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