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

Systemtic Name: N-[3-[2-(1-adamantyl)ethanoylcarbamothioylamino]-4-chloranyl-phenyl]propanamide Openeye Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]-4-chloro-phenyl]propanamide CAS Name: N-[3-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-chlorophenyl]propanamide IUPAC Name: N-[3-[[2-(1-adamantyl)acetyl]carbamothioylamino]-4-chlorophenyl]propanamide Traditional Name: N-[3-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-4-chloro-phenyl]propionamide Formula: C22H28ClN3O2S MolecularWeight: 433.99462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O2S/c1-2-19(27)24-16-3-4-17(23)18(8-16)25-21(29)26-20(28)12-22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,13-15H,2,5-7,9-12H2,1H3,(H,24,27)(H2,25,26,28,29)