N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]-4-chloranyl-phenyl]butanamide

Systemtic Name: N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]-4-chloranyl-phenyl]butanamide Openeye Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]-4-chloro-phenyl]butanamide CAS Name: N-[3-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-chlorophenyl]butanamide IUPAC Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]-4-chlorophenyl]butanamide Traditional Name: N-[3-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-4-chloro-phenyl]butyramide Formula: C23H30ClN3O2S MolecularWeight: 448.0212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30ClN3O2S/c1-2-3-20(28)25-17-4-5-18(24)19(9-17)26-22(30)27-21(29)13-23-10-14-6-15(11-23)8-16(7-14)12-23/h4-5,9,14-16H,2-3,6-8,10-13H2,1H3,(H,25,28)(H2,26,27,29,30)