[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(N-cyano-N'-phenyl-carbamimidoyl)sulfanyl-acetamide CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(N-cyano-N'-phenyl-amidino)thio]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC(=NC4=CC=CC=C4)NC#N

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC(=NC4=CC=CC=C4)NC#N

InChI

InChI=1S/C22H28N4OS/c1-15(22-10-16-7-17(11-22)9-18(8-16)12-22)25-20(27)13-28-21(24-14-23)26-19-5-3-2-4-6-19/h2-6,15-18H,7-13H2,1H3,(H,24,26)(H,25,27)/t15-,16?,17?,18?,22?/m1/s1