N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]-2-methoxy-phenyl]pentanamide

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]-2-methoxy-phenyl]pentanamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methoxy-phenyl]pentanamide CAS Name: N-[4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]pentanamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methoxyphenyl]pentanamide Traditional Name: N-[4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-2-methoxy-phenyl]valeramide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C25H35N3O3S/c1-3-4-5-22(29)27-20-7-6-19(11-21(20)31-2)26-24(32)28-23(30)15-25-12-16-8-17(13-25)10-18(9-16)14-25/h6-7,11,16-18H,3-5,8-10,12-15H2,1-2H3,(H,27,29)(H2,26,28,30,32)