methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)propylamino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)propylthiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H32N2O2S2 MolecularWeight: 420.63168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C(=C(S4)C)C)C(=O)OC

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C(=C(S4)C)C)C(=O)OC

InChI

InChI=1S/C22H32N2O2S2/c1-5-17(22-9-14-6-15(10-22)8-16(7-14)11-22)23-21(27)24-19-18(20(25)26-4)12(2)13(3)28-19/h14-17H,5-11H2,1-4H3,(H2,23,24,27)