N-[(4-phenylmethoxyphenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(4-phenylmethoxyphenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(4-benzyloxyphenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-phenylmethoxyphenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(4-benzoxyphenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H28N2O2S/c28-23(25-13-18-10-19(14-25)12-20(11-18)15-25)27-24(30)26-21-6-8-22(9-7-21)29-16-17-4-2-1-3-5-17/h1-9,18-20H,10-16H2,(H2,26,27,28,30)