N-[[4-[(4-methoxyphenyl)amino]phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(4-methoxyphenyl)amino]phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-methoxyanilino)phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(4-methoxyanilino)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(4-methoxyanilino)phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-(p-anisidino)phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C25H29N3O2S MolecularWeight: 435.58166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29N3O2S/c1-30-22-8-6-20(7-9-22)26-19-2-4-21(5-3-19)27-24(31)28-23(29)25-13-16-10-17(14-25)12-18(11-16)15-25/h2-9,16-18,26H,10-15H2,1H3,(H2,27,28,29,31)