N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H36N4O2S/c1-3-29(4-2)10-9-26-22(30)20-5-7-21(8-6-20)27-24(32)28-23(31)25-14-17-11-18(15-25)13-19(12-17)16-25/h5-8,17-19H,3-4,9-16H2,1-2H3,(H,26,30)(H2,27,28,31,32)