methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)ethylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H28N2O2S2 MolecularWeight: 392.57852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C20H28N2O2S2/c1-11-4-16(18(23)24-3)17(26-11)22-19(25)21-12(2)20-8-13-5-14(9-20)7-15(6-13)10-20/h4,12-15H,5-10H2,1-3H3,(H2,21,22,25)