N-[[4-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[(3,4-dimethylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[[(3,4-dimethylphenyl)thiocarbamoylamino]carbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C28H34N4O2S/c1-17-3-8-24(9-18(17)2)30-27(35)32-31-25(33)23-6-4-19(5-7-23)16-29-26(34)28-13-20-10-21(14-28)12-22(11-20)15-28/h3-9,20-22H,10-16H2,1-2H3,(H,29,34)(H,31,33)(H2,30,32,35)