N-(2-carbamothioyl-4-oxidanylidene-chromen-8-yl)-9-phenyl-nonanamide

Systemtic Name: N-(2-carbamothioyl-4-oxidanylidene-chromen-8-yl)-9-phenyl-nonanamide Openeye Name: N-(2-carbamothioyl-4-oxo-chromen-8-yl)-9-phenyl-nonanamide CAS Name: N-(2-carbamothioyl-4-oxo-1-benzopyran-8-yl)-9-phenylnonanamide IUPAC Name: N-(2-carbamothioyl-4-oxochromen-8-yl)-9-phenylnonanamide Traditional Name: N-(4-keto-2-thiocarbamoyl-chromen-8-yl)-9-phenyl-pelargonamide Formula: C25H28N2O3S MolecularWeight: 436.56642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3S/c26-25(31)22-17-21(28)19-14-10-15-20(24(19)30-22)27-23(29)16-9-4-2-1-3-6-11-18-12-7-5-8-13-18/h5,7-8,10,12-15,17H,1-4,6,9,11,16H2,(H2,26,31)(H,27,29)