2-(1-adamantyl)-N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]acetamide Formula: C28H27ClN2O3S MolecularWeight: 507.04358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=C(C=C4)C5=CC6=CC=CC=C6OC5=O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=C(C=C4)C5=CC6=CC=CC=C6OC5=O)Cl

InChI

InChI=1S/C28H27ClN2O3S/c29-23-11-20(5-6-21(23)22-10-19-3-1-2-4-24(19)34-26(22)33)30-27(35)31-25(32)15-28-12-16-7-17(13-28)9-18(8-16)14-28/h1-6,10-11,16-18H,7-9,12-15H2,(H2,30,31,32,35)