N-[3-[[2-(4-methylphenyl)sulfanylethanoylamino]carbamoyl]-1-adamantyl]ethanamide

Systemtic Name: N-[3-[[2-(4-methylphenyl)sulfanylethanoylamino]carbamoyl]-1-adamantyl]ethanamide Openeye Name: N-[3-[[[2-(p-tolylsulfanyl)acetyl]amino]carbamoyl]-1-adamantyl]acetamide CAS Name: N-[3-[[[2-[(4-methylphenyl)thio]-1-oxoethyl]hydrazo]-oxomethyl]-1-adamantyl]acetamide IUPAC Name: N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]-1-adamantyl]acetamide Traditional Name: N-[3-[[[2-(p-tolylthio)acetyl]amino]carbamoyl]-1-adamantyl]acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-14-3-5-18(6-4-14)29-12-19(27)24-25-20(28)21-8-16-7-17(9-21)11-22(10-16,13-21)23-15(2)26/h3-6,16-17H,7-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)