N-[3-[(1-adamantylcarbamothioylamino)carbamoyl]phenyl]-5-phenyl-pentanamide

Systemtic Name: N-[3-[(1-adamantylcarbamothioylamino)carbamoyl]phenyl]-5-phenyl-pentanamide Openeye Name: N-[3-[(1-adamantylcarbamothioylamino)carbamoyl]phenyl]-5-phenyl-pentanamide CAS Name: N-[3-[[[(1-adamantylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-5-phenylpentanamide IUPAC Name: N-[3-[(1-adamantylcarbamothioylamino)carbamoyl]phenyl]-5-phenylpentanamide Traditional Name: N-[3-[(1-adamantylthiocarbamoylamino)carbamoyl]phenyl]-5-phenyl-valeramide Formula: C29H36N4O2S MolecularWeight: 504.68674

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC(=O)C4=CC(=CC=C4)NC(=O)CCCCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NNC(=O)C4=CC(=CC=C4)NC(=O)CCCCC5=CC=CC=C5

InChI

InChI=1S/C29H36N4O2S/c34-26(12-5-4-9-20-7-2-1-3-8-20)30-25-11-6-10-24(16-25)27(35)32-33-28(36)31-29-17-21-13-22(18-29)15-23(14-21)19-29/h1-3,6-8,10-11,16,21-23H,4-5,9,12-15,17-19H2,(H,30,34)(H,32,35)(H2,31,33,36)