N-[[2-(4-cyanophenoxy)ethanoylamino]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[2-(4-cyanophenoxy)ethanoylamino]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[[2-(4-cyanophenoxy)acetyl]amino]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[[2-(4-cyanophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[[2-(4-cyanophenoxy)acetyl]amino]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[[2-(4-cyanophenoxy)acetyl]amino]thiocarbamoyl]adamantane-1-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NNC(=O)COC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NNC(=O)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H24N4O3S/c22-11-13-1-3-17(4-2-13)28-12-18(26)24-25-20(29)23-19(27)21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,14-16H,5-10,12H2,(H,24,26)(H2,23,25,27,29)