N-[[4-[[(2-methylphenyl)carbamothioylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[(2-methylphenyl)carbamothioylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(o-tolylcarbamothioylamino)carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[(2-methylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[(2-methylphenyl)carbamothioylamino]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(o-tolylthiocarbamoylamino)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32N4O2S/c1-17-4-2-3-5-23(17)29-26(34)31-30-24(32)22-8-6-18(7-9-22)16-28-25(33)27-13-19-10-20(14-27)12-21(11-19)15-27/h2-9,19-21H,10-16H2,1H3,(H,28,33)(H,30,32)(H2,29,31,34)