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

Systemtic Name: N-[[phenyl-(phenylmethyl)amino]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(N-benzylanilino)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[2-phenyl-2-(phenylmethyl)hydrazinyl]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(N-benzylanilino)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(N-benzylanilino)thiocarbamoyl]adamantane-1-carboxamide Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NN(CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NN(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H29N3OS/c29-23(25-14-19-11-20(15-25)13-21(12-19)16-25)26-24(30)27-28(22-9-5-2-6-10-22)17-18-7-3-1-4-8-18/h1-10,19-21H,11-17H2,(H2,26,27,29,30)