methyl 2-[[2-(1-adamantyl)ethanoylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(1-adamantyl)ethanoylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(1-adamantyl)acetyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(1-adamantyl)acetyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[[2-(1-adamantyl)acetyl]amino]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3O3S2/c1-28-20(27)18-15-3-2-4-16(15)30-19(18)23-21(29)25-24-17(26)11-22-8-12-5-13(9-22)7-14(6-12)10-22/h12-14H,2-11H2,1H3,(H,24,26)(H2,23,25,29)