N-[[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[(5-bromo-2-oxo-indol-3-yl)amino]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[(5-bromo-2-oxo-3-indolyl)hydrazo]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[(5-bromo-2-oxoindol-3-yl)amino]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[(5-bromo-2-keto-indol-3-yl)amino]thiocarbamoyl]adamantane-1-carboxamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NNC4=C5C=C(C=CC5=NC4=O)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NNC4=C5C=C(C=CC5=NC4=O)Br

InChI

InChI=1S/C20H21BrN4O2S/c21-13-1-2-15-14(6-13)16(17(26)22-15)24-25-19(28)23-18(27)20-7-10-3-11(8-20)5-12(4-10)9-20/h1-2,6,10-12H,3-5,7-9H2,(H,22,24,26)(H2,23,25,27,28)